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CAS 16155-94-5 5-methyl-2-(p-tolyl)benzoxazole molecular structure lightbox
CAS RN: 16155-94-5

5-methyl-2-(p-tolyl)benzoxazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251112 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS16155-94-5
  • Purity/Analytical Methods: >99.0%
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16155-94-5 / 5-methyl-2-(4-methylphenyl)-1,3-benzoxazole

Standard CAS: 16155-94-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16155-94-5
Multi CAS
No
Molecular Formula
C15H13NO
Molecular Weight
223.270000
Exact Mass
223.099714
SMILES
CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C
InChI
InChI=1S/C15H13NO/c1-10-3-6-12(7-4-10)15-16-13-9-11(2)5-8-14(13)17-15/h3-9H,1-2H3
InChIKey
RETREZSKHMFVCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
68.92
TPSA
26.03

LogP / Solubility

WLOGP
4.11
MLOGP
3.62
XLogP3
4.2
Consensus LogP
3.98
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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