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

C19H14FN3OS — CID 53035931

IUPAC5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3noc(-c4ccc(C)c(F)c4)n3)cc2)cs1
InChIInChI=1S/C19H14FN3OS/c1-11-3-4-15(9-16(11)20)19-22-18(23-24-19)14-7-5-13(6-8-14)17-10-25-12(2)21-17/h3-10H,1-2H3
InChIKeyWESHYOIUJZQNRB-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.28
Rot. Bonds3

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

5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53035931) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53035931
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3noc(-c4ccc(C)c(F)c4)n3)cc2)cs1
InChIInChI=1S/C19H14FN3OS/c1-11-3-4-15(9-16(11)20)19-22-18(23-24-19)14-7-5-13(6-8-14)17-10-25-12(2)21-17/h3-10H,1-2H3
InChIKeyWESHYOIUJZQNRB-UHFFFAOYSA-N
XLogP5.28
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-fluoro-4-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-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (CID 53035931) is 5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is Cc1nc(-c2ccc(-c3noc(-c4ccc(C)c(F)c4)n3)cc2)cs1.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is WESHYOIUJZQNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c1-11-3-4-15(9-16(11)20)19-22-18(23-24-19)14-7-5-13(6-8-14)17-10-25-12(2)21-17/h3-10H,1-2H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 351.41 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53035931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).