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

C16H11FN6O — CID 53170033

IUPAC3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(Cn2cc(-c3noc(-c4ccccn4)n3)nn2)cc1
InChIInChI=1S/C16H11FN6O/c17-12-6-4-11(5-7-12)9-23-10-14(20-22-23)15-19-16(24-21-15)13-3-1-2-8-18-13/h1-8,10H,9H2
InChIKeyYJKSQWWCLGVITI-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.58
Rot. Bonds4

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

3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 53170033) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID53170033
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(Cn2cc(-c3noc(-c4ccccn4)n3)nn2)cc1
InChIInChI=1S/C16H11FN6O/c17-12-6-4-11(5-7-12)9-23-10-14(20-22-23)15-19-16(24-21-15)13-3-1-2-8-18-13/h1-8,10H,9H2
InChIKeyYJKSQWWCLGVITI-UHFFFAOYSA-N
XLogP2.58
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.58
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)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole (CID 53170033) is 3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole is Fc1ccc(Cn2cc(-c3noc(-c4ccccn4)n3)nn2)cc1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is YJKSQWWCLGVITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-12-6-4-11(5-7-12)9-23-10-14(20-22-23)15-19-16(24-21-15)13-3-1-2-8-18-13/h1-8,10H,9H2.
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole?
3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 322.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53170033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).