CAS RN: 1509929-21-8

Pyridine, 2-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-6-phenyl-

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  • Product code: starshine_CAS1509929-21-8
  • Purity/Analytical Methods: >99.0%
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1509929-21-8 / (4S)-4-phenyl-2-(6-phenyl-2-pyridinyl)-4,5-dihydro-1,3-oxazole

Standard CAS: 1509929-21-8 Multi CAS: No

Basic Information

CAS
1509929-21-8
Multi CAS
No
Molecular Formula
C20H16N2O
Molecular Weight
300.400000
Exact Mass
300.126263
SMILES
C1[C@@H](N=C(O1)C2=CC=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N2O/c1-3-8-15(9-4-1)17-12-7-13-18(21-17)20-22-19(14-23-20)16-10-5-2-6-11-16/h1-13,19H,14H2/t19-/m1/s1
InChIKey
BVYPCOPRSGDQGZ-LJQANCHMSA-N

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
91.35
TPSA
34.48

LogP / Solubility

WLOGP
4.27
MLOGP
3.77
XLogP3
4.1
Consensus LogP
4.05
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
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)
-1.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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