5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

C23H16FN5OS — CID 2088634

IUPAC5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)n2-c2ccccc2)cc1
InChIInChI=1S/C23H16FN5OS/c24-18-13-11-17(12-14-18)22-26-27-23(29(22)19-9-5-2-6-10-19)31-15-20-25-21(28-30-20)16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyUJQWCBANYGKWRO-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.42
Rot. Bonds6

About 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 2088634) has the molecular formula C23H16FN5OS and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID2088634
Molecular FormulaC23H16FN5OS
Molecular Weight429.48 g/mol
Exact Mass429.11
IUPAC Name5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)n2-c2ccccc2)cc1
InChIInChI=1S/C23H16FN5OS/c24-18-13-11-17(12-14-18)22-26-27-23(29(22)19-9-5-2-6-10-19)31-15-20-25-21(28-30-20)16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyUJQWCBANYGKWRO-UHFFFAOYSA-N
XLogP5.42
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-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-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (CID 2088634) is 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is Fc1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)n2-c2ccccc2)cc1.
What is the InChIKey of 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is UJQWCBANYGKWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5OS/c24-18-13-11-17(12-14-18)22-26-27-23(29(22)19-9-5-2-6-10-19)31-15-20-25-21(28-30-20)16-7-3-1-4-8-16/h1-14H,15H2.
What are the key properties of 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 429.48 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2088634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).