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

C24H18FN5OS — CID 55384215

IUPAC2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H18FN5OS/c1-16(22-27-28-23(31-22)18-8-4-2-5-9-18)32-24-29-26-21(17-12-14-19(25)15-13-17)30(24)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyNHJIEKYFROTYRI-UHFFFAOYSA-N
MW443.51 g/mol
LogP5.98
Rot. Bonds6

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

2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 55384215) has the molecular formula C24H18FN5OS and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID55384215
Molecular FormulaC24H18FN5OS
Molecular Weight443.51 g/mol
Exact Mass443.12
IUPAC Name2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H18FN5OS/c1-16(22-27-28-23(31-22)18-8-4-2-5-9-18)32-24-29-26-21(17-12-14-19(25)15-13-17)30(24)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyNHJIEKYFROTYRI-UHFFFAOYSA-N
XLogP5.98
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 55384215) is 2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole is CC(Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is NHJIEKYFROTYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5OS/c1-16(22-27-28-23(31-22)18-8-4-2-5-9-18)32-24-29-26-21(17-12-14-19(25)15-13-17)30(24)20-10-6-3-7-11-20/h2-16H,1H3.
What are the key properties of 2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 443.51 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 55384215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).