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

C20H16N2OS — CID 1497699

IUPAC5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole
SMILESCc1ccc(-c2csc(-c3c(-c4ccccc4)noc3C)n2)cc1
InChIInChI=1S/C20H16N2OS/c1-13-8-10-15(11-9-13)17-12-24-20(21-17)18-14(2)23-22-19(18)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyFRTMNKUJVGMDIZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.75
Rot. Bonds3

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

5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole (PubChem CID 1497699) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole
PubChem CID1497699
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole
SMILESCc1ccc(-c2csc(-c3c(-c4ccccc4)noc3C)n2)cc1
InChIInChI=1S/C20H16N2OS/c1-13-8-10-15(11-9-13)17-12-24-20(21-17)18-14(2)23-22-19(18)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyFRTMNKUJVGMDIZ-UHFFFAOYSA-N
XLogP5.75
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-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-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole (CID 1497699) is 5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole is Cc1ccc(-c2csc(-c3c(-c4ccccc4)noc3C)n2)cc1.
What is the InChIKey of 5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole?
The InChIKey is FRTMNKUJVGMDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-13-8-10-15(11-9-13)17-12-24-20(21-17)18-14(2)23-22-19(18)16-6-4-3-5-7-16/h3-12H,1-2H3.
What are the key properties of 5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole?
5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole has a molecular weight of 332.43 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 1497699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).