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

C16H11FN6O — CID 29137297

IUPAC2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3cccnc3)o2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN6O/c1-10-14(19-22-23(10)13-6-4-12(17)5-7-13)16-21-20-15(24-16)11-3-2-8-18-9-11/h2-9H,1H3
InChIKeyBEOMAKZJDRKWQV-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.83
Rot. Bonds3

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

2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 29137297) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID29137297
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3cccnc3)o2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN6O/c1-10-14(19-22-23(10)13-6-4-12(17)5-7-13)16-21-20-15(24-16)11-3-2-8-18-9-11/h2-9H,1H3
InChIKeyBEOMAKZJDRKWQV-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 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 29137297) is 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is Cc1c(-c2nnc(-c3cccnc3)o2)nnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is BEOMAKZJDRKWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c1-10-14(19-22-23(10)13-6-4-12(17)5-7-13)16-21-20-15(24-16)11-3-2-8-18-9-11/h2-9H,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-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 2-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 29137297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).