5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine

C16H11FN6O — CID 7470703

IUPAC5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
SMILESNc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1
InChIInChI=1S/C16H11FN6O/c17-12-9-5-4-8-11(12)15-19-16(24-21-15)13-14(18)23(22-20-13)10-6-2-1-3-7-10/h1-9H,18H2
InChIKeyGDYNAQZTBGOISZ-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.71
Rot. Bonds3

About 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine (PubChem CID 7470703) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
PubChem CID7470703
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
SMILESNc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1
InChIInChI=1S/C16H11FN6O/c17-12-9-5-4-8-11(12)15-19-16(24-21-15)13-14(18)23(22-20-13)10-6-2-1-3-7-10/h1-9H,18H2
InChIKeyGDYNAQZTBGOISZ-UHFFFAOYSA-N
XLogP2.71
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine?
The IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine (CID 7470703) is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine.
What is the SMILES notation for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine?
The canonical SMILES for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine is Nc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1.
What is the InChIKey of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine?
The InChIKey is GDYNAQZTBGOISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-12-9-5-4-8-11(12)15-19-16(24-21-15)13-14(18)23(22-20-13)10-6-2-1-3-7-10/h1-9H,18H2.
What are the key properties of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine?
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine has a molecular weight of 322.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine is sourced from PubChem (CID 7470703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).