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

C19H15N3OS — CID 53035902

IUPAC5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(-c3ccc(-c4csc(C)n4)cc3)no2)c1
InChIInChI=1S/C19H15N3OS/c1-12-4-3-5-16(10-12)19-21-18(22-23-19)15-8-6-14(7-9-15)17-11-24-13(2)20-17/h3-11H,1-2H3
InChIKeyAUPYWQVKVVBEMK-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.14
Rot. Bonds3

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

5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53035902) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53035902
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(-c3ccc(-c4csc(C)n4)cc3)no2)c1
InChIInChI=1S/C19H15N3OS/c1-12-4-3-5-16(10-12)19-21-18(22-23-19)15-8-6-14(7-9-15)17-11-24-13(2)20-17/h3-11H,1-2H3
InChIKeyAUPYWQVKVVBEMK-UHFFFAOYSA-N
XLogP5.14
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole 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-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (CID 53035902) is 5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is Cc1cccc(-c2nc(-c3ccc(-c4csc(C)n4)cc3)no2)c1.
What is the InChIKey of 5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is AUPYWQVKVVBEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-4-3-5-16(10-12)19-21-18(22-23-19)15-8-6-14(7-9-15)17-11-24-13(2)20-17/h3-11H,1-2H3.
What are the key properties of 5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 333.42 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53035902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).