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

C17H12FN5O — CID 17014847

IUPAC2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccccc3)o2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C17H12FN5O/c1-11-15(19-22-23(11)14-9-7-13(18)8-10-14)17-21-20-16(24-17)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyQMHKDLIPNLENJQ-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.43
Rot. Bonds3

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

2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 17014847) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID17014847
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccccc3)o2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C17H12FN5O/c1-11-15(19-22-23(11)14-9-7-13(18)8-10-14)17-21-20-16(24-17)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyQMHKDLIPNLENJQ-UHFFFAOYSA-N
XLogP3.43
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole (CID 17014847) is 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole is Cc1c(-c2nnc(-c3ccccc3)o2)nnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is QMHKDLIPNLENJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c1-11-15(19-22-23(11)14-9-7-13(18)8-10-14)17-21-20-16(24-17)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 321.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 17014847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).