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CAS 149065-77-0 (S)-2-(thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole molecular structure lightbox
CAS RN: 149065-77-0

(S)-2-(thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250915 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS149065-77-0
  • Purity/Analytical Methods: >99.0%
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149065-77-0 / (4S)-4-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazole

Standard CAS: 149065-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149065-77-0
Multi CAS
No
Molecular Formula
C13H11NOS
Molecular Weight
229.300000
Exact Mass
229.056135
SMILES
C1[C@@H](N=C(O1)C2=CC=CS2)C3=CC=CC=C3
InChI
InChI=1S/C13H11NOS/c1-2-5-10(6-3-1)11-9-15-13(14-11)12-7-4-8-16-12/h1-8,11H,9H2/t11-/m1/s1
InChIKey
BZXDHTYWKPOWQO-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
65.99
TPSA
21.59

LogP / Solubility

WLOGP
3.27
MLOGP
2.88
XLogP3
3.2
Consensus LogP
3.12
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

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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