5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole

C16H11N3O2S — CID 2742519

IUPAC5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(-c2ccno2)n1
InChIInChI=1S/C16H11N3O2S/c1-10-14(15(19-20-10)11-5-3-2-4-6-11)12-9-22-16(18-12)13-7-8-17-21-13/h2-9H,1H3
InChIKeyRVFNUFXPDHIGFI-UHFFFAOYSA-N
MW309.35 g/mol
LogP4.43
Rot. Bonds3

About 5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole

5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole (PubChem CID 2742519) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
PubChem CID2742519
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(-c2ccno2)n1
InChIInChI=1S/C16H11N3O2S/c1-10-14(15(19-20-10)11-5-3-2-4-6-11)12-9-22-16(18-12)13-7-8-17-21-13/h2-9H,1H3
InChIKeyRVFNUFXPDHIGFI-UHFFFAOYSA-N
XLogP4.43
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole (CID 2742519) is 5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1csc(-c2ccno2)n1.
What is the InChIKey of 5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
The InChIKey is RVFNUFXPDHIGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c1-10-14(15(19-20-10)11-5-3-2-4-6-11)12-9-22-16(18-12)13-7-8-17-21-13/h2-9H,1H3.
What are the key properties of 5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole has a molecular weight of 309.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 2742519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).