![CAS 2757082-86-1 Pyridine, 2-[(4R,5R)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]-5-(trifluoromethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-86-1.gif)
CAS RN: 2757082-86-1
Pyridine, 2-[(4R,5R)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]-5-(trifluoromethyl)-
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS2757082-86-1
- Purity/Analytical Methods: >99.0%
2757082-86-1 / (4R,5R)-4,5-diphenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2757082-86-1
Multi CAS
Yes
Molecular Formula
C21F3H15N2O
Molecular Weight
368.400000
Exact Mass
368.113648
InChI
InChI=1S/C21H15F3N2O/c22-21(23,24)16-11-12-17(25-13-16)20-26-18(14-7-3-1-4-8-14)19(27-20)15-9-5-2-6-10-15/h1-13,18-19H/t18-,19-/m1/s1
InChIKey
QFLUMJQUCAPCRJ-RTBURBONSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
95.23
TPSA
34.48
LogP / Solubility
WLOGP
5.36
MLOGP
4.74
XLogP3
4.8
Consensus LogP
4.97
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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