N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine

C13H9FN4O — CID 139434479

IUPACN-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1Nc1nc(-c2ccccn2)no1
InChIInChI=1S/C13H9FN4O/c14-9-5-1-2-6-10(9)16-13-17-12(18-19-13)11-7-3-4-8-15-11/h1-8H,(H,16,17,18)
InChIKeyQBNNFNMNWXPHLO-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.01
Rot. Bonds3

About N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine

N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 139434479) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID139434479
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC NameN-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1Nc1nc(-c2ccccn2)no1
InChIInChI=1S/C13H9FN4O/c14-9-5-1-2-6-10(9)16-13-17-12(18-19-13)11-7-3-4-8-15-11/h1-8H,(H,16,17,18)
InChIKeyQBNNFNMNWXPHLO-UHFFFAOYSA-N
XLogP3.01
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine (CID 139434479) is N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine is Fc1ccccc1Nc1nc(-c2ccccn2)no1.
What is the InChIKey of N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is QBNNFNMNWXPHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O/c14-9-5-1-2-6-10(9)16-13-17-12(18-19-13)11-7-3-4-8-15-11/h1-8H,(H,16,17,18).
What are the key properties of N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine?
N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 256.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 139434479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).