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

C14H12FN3OS — CID 71876906

IUPAC3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCc3nccs3)n2)cc1F
InChIInChI=1S/C14H12FN3OS/c1-9-2-3-10(8-11(9)15)14-17-12(19-18-14)4-5-13-16-6-7-20-13/h2-3,6-8H,4-5H2,1H3
InChIKeyZKKVQRJSPOIVNC-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.43
Rot. Bonds4

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

3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 71876906) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole
PubChem CID71876906
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCc3nccs3)n2)cc1F
InChIInChI=1S/C14H12FN3OS/c1-9-2-3-10(8-11(9)15)14-17-12(19-18-14)4-5-13-16-6-7-20-13/h2-3,6-8H,4-5H2,1H3
InChIKeyZKKVQRJSPOIVNC-UHFFFAOYSA-N
XLogP3.43
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-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 3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole (CID 71876906) is 3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole is Cc1ccc(-c2noc(CCc3nccs3)n2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is ZKKVQRJSPOIVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-9-2-3-10(8-11(9)15)14-17-12(19-18-14)4-5-13-16-6-7-20-13/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole?
3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 289.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71876906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).