![CAS 1108603-34-4 Pyridine, 2-[(4R,5S)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1108603-34-4.gif)
CAS RN: 1108603-34-4
Pyridine, 2-[(4R,5S)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]-
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS1108603-34-4
- Purity/Analytical Methods: >99.0%
1108603-34-4 / (4R,5S)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
4,5-Diphenyl-2-(pyridin-2-yl)-4,5-dihydrooxazole | (S,R)-BisPh-Pyox | SCHEMBL15842373
Basic Information
CAS
1108603-34-4
Multi CAS
Yes
Molecular Formula
C20H16N2O
Molecular Weight
300.400000
Exact Mass
300.126263
SMILES
C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=N2)C3=CC=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N2O/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-20(22-18)17-13-7-8-14-21-17/h1-14,18-19H/t18-,19+/m1/s1
InChIKey
VNKLZQCCCHJDTO-MOPGFXCFSA-N
Synonyms
4,5-Diphenyl-2-(pyridin-2-yl)-4,5-dihydrooxazole
(S,R)-BisPh-Pyox
SCHEMBL15842373
SCHEMBL29923713
4,5-diphenyl-2-(2-pyridyl)-4,5-dihydrooxazole
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
90.23
TPSA
34.48
LogP / Solubility
WLOGP
4.34
MLOGP
3.83
XLogP3
3.9
Consensus LogP
4.02
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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