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

C16H11FN6O — CID 53170106

IUPAC3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1c(-c2noc(-c3ccccn3)n2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN6O/c1-10-14(20-22-23(10)12-7-5-11(17)6-8-12)15-19-16(24-21-15)13-4-2-3-9-18-13/h2-9H,1H3
InChIKeyMUSOWLIEHLXESZ-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.83
Rot. Bonds3

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

3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 53170106) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID53170106
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1c(-c2noc(-c3ccccn3)n2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN6O/c1-10-14(20-22-23(10)12-7-5-11(17)6-8-12)15-19-16(24-21-15)13-4-2-3-9-18-13/h2-9H,1H3
InChIKeyMUSOWLIEHLXESZ-UHFFFAOYSA-N
XLogP2.83
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole (CID 53170106) is 3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole is Cc1c(-c2noc(-c3ccccn3)n2)nnn1-c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is MUSOWLIEHLXESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c1-10-14(20-22-23(10)12-7-5-11(17)6-8-12)15-19-16(24-21-15)13-4-2-3-9-18-13/h2-9H,1H3.
What are the key properties of 3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole?
3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 322.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53170106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).