5-methyl-3,4-diphenyl-1,2-oxazole
CAS No.：
Cat. No.: SC251548
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Product Name :5-methyl-3,4-diphenyl-1,2-oxazole
Cat. No.: :SC251548
Purity / Specification :—
CAS No. :37928-17-9
MDL No. :—
Molecular Formula :C16H13NO
LogP :4.10
Molecular Weight :235.29
TPSA :26.0
Category :API Impurities
HSN Code :—
SMILES Code :CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3
Melting Point :—
InChI Key : :ZXIRUKJWLADSJS-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 235.3 Da
LogP ≤ 5✓ 4.10
HBD ≤ 5✓ 0
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i64/100
Moderate — typical building block
Predicted LogP
i4.10log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 26.0Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.