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

C16H11FN6O — CID 69281051

IUPAC2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-c1nnco1
InChIInChI=1S/C16H11FN6O/c17-12-6-2-1-5-11(12)9-23-15(16-21-19-10-24-16)20-14(22-23)13-7-3-4-8-18-13/h1-8,10H,9H2
InChIKeyODMAIXIREKPHQH-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.58
Rot. Bonds4

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

2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole (PubChem CID 69281051) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole
PubChem CID69281051
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-c1nnco1
InChIInChI=1S/C16H11FN6O/c17-12-6-2-1-5-11(12)9-23-15(16-21-19-10-24-16)20-14(22-23)13-7-3-4-8-18-13/h1-8,10H,9H2
InChIKeyODMAIXIREKPHQH-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 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole (CID 69281051) is 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole is Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1nnco1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is ODMAIXIREKPHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-12-6-2-1-5-11(12)9-23-15(16-21-19-10-24-16)20-14(22-23)13-7-3-4-8-18-13/h1-8,10H,9H2.
What are the key properties of 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole?
2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-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 2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 69281051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).