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CAS 1632140-87-4 (S)-4-Phenyl-2-(pyrazin-2-yl)-4,5-dihydrooxazole molecular structure lightbox
CAS RN: 1632140-87-4

(S)-4-Phenyl-2-(pyrazin-2-yl)-4,5-dihydrooxazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1632140-87-4
  • Purity/Analytical Methods: >99.0%
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1632140-87-4 / (4S)-4-phenyl-2-pyrazin-2-yl-4,5-dihydro-1,3-oxazole

Standard CAS: 1632140-87-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1632140-87-4
Multi CAS
No
Molecular Formula
C13H11N3O
Molecular Weight
225.250000
Exact Mass
225.090212
SMILES
C1[C@@H](N=C(O1)C2=NC=CN=C2)C3=CC=CC=C3
InChI
InChI=1S/C13H11N3O/c1-2-4-10(5-3-1)12-9-17-13(16-12)11-8-14-6-7-15-11/h1-8,12H,9H2/t12-/m1/s1
InChIKey
LSZGSJFTOXBLGG-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
63.7
TPSA
47.37

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
1.3
Consensus LogP
1.68
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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