2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole

C17H13FN6OS — CID 4988536

IUPAC2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1ccc(-n2nnnc2CSc2nnc(-c3cccc(F)c3)o2)cc1
InChIInChI=1S/C17H13FN6OS/c1-11-5-7-14(8-6-11)24-15(19-22-23-24)10-26-17-21-20-16(25-17)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3
InChIKeyKJVVKRMIWXWPMD-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.45
Rot. Bonds5

About 2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole

2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 4988536) has the molecular formula C17H13FN6OS and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
PubChem CID4988536
Molecular FormulaC17H13FN6OS
Molecular Weight368.40 g/mol
Exact Mass368.09
IUPAC Name2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1ccc(-n2nnnc2CSc2nnc(-c3cccc(F)c3)o2)cc1
InChIInChI=1S/C17H13FN6OS/c1-11-5-7-14(8-6-11)24-15(19-22-23-24)10-26-17-21-20-16(25-17)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3
InChIKeyKJVVKRMIWXWPMD-UHFFFAOYSA-N
XLogP3.45
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-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 2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole (CID 4988536) is 2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole is Cc1ccc(-n2nnnc2CSc2nnc(-c3cccc(F)c3)o2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is KJVVKRMIWXWPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6OS/c1-11-5-7-14(8-6-11)24-15(19-22-23-24)10-26-17-21-20-16(25-17)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole?
2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 368.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 4988536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).