![CAS 2757082-63-4 8H-Indeno[1,2-d]oxazole, 2-[2,2′-bipyridin]-6-yl-3a,8a-dihydro-, (3aR,8aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-63-4.gif)
CAS RN: 2757082-63-4
8H-Indeno[1,2-d]oxazole, 2-[2,2′-bipyridin]-6-yl-3a,8a-dihydro-, (3aR,8aS)-
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS2757082-63-4
- Purity/Analytical Methods: >99.0%
2757082-63-4 / (3aS,8bR)-2-(6-pyridin-2-yl-2-pyridinyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
2757082-63-4
Multi CAS
Yes
Molecular Formula
C20H15N3O
Molecular Weight
313.400000
Exact Mass
313.121512
InChI
InChI=1S/C20H15N3O/c1-2-7-14-13(6-1)12-18-19(14)23-20(24-18)17-10-5-9-16(22-17)15-8-3-4-11-21-15/h1-11,18-19H,12H2/t18-,19+/m0/s1
InChIKey
VJSIMJSVSGCYRU-RBUKOAKNSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
91.77
TPSA
47.37
LogP / Solubility
WLOGP
3.59
MLOGP
3.17
XLogP3
3.1
Consensus LogP
3.29
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
![CAS 2757082-65-6 Pyridine, 2-[(4R)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-6-phenyl- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Pyridine, 2-[(4R)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-6-phenyl-
- CAS RN: 2757082-65-6
- Product Code: SSC-127225
-
Pyrimidine, 2-[(4R)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
- CAS RN: 2757082-66-7
- Product Code: SSC-127226
-
1,8-Naphthyridine, 2-[(4R)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
- CAS RN: 2757082-67-8
- Product Code: SSC-127227
-
Pyrimidine, 2-[(4R)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-
- CAS RN: 2757082-72-5
- Product Code: SSC-127229
-
1,8-Naphthyridine, 2-[(4R)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-
- CAS RN: 2757082-73-6
- Product Code: SSC-127230
-
Pyridine, 2-[(4R)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-phenyl-
- CAS RN: 2757082-75-8
- Product Code: SSC-127232
![CAS 2757082-65-6 Pyridine, 2-[(4R)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-6-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-65-6.gif)
![CAS 2757082-66-7 Pyrimidine, 2-[(4R)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-66-7.gif)
![CAS 2757082-67-8 1,8-Naphthyridine, 2-[(4R)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-67-8.gif)
![CAS 2757082-72-5 Pyrimidine, 2-[(4R)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-72-5.gif)
![CAS 2757082-73-6 1,8-Naphthyridine, 2-[(4R)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-73-6.gif)
![CAS 2757082-75-8 Pyridine, 2-[(4R)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-75-8.gif)