3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide

C16H13FN4O2 — CID 866836

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)Nc1cccnc1
InChIInChI=1S/C16H13FN4O2/c17-13-6-2-1-5-12(13)16-20-15(23-21-16)8-7-14(22)19-11-4-3-9-18-10-11/h1-6,9-10H,7-8H2,(H,19,22)
InChIKeyHNHWKAJHFZEHHS-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.84
Rot. Bonds5

About 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide (PubChem CID 866836) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
PubChem CID866836
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)Nc1cccnc1
InChIInChI=1S/C16H13FN4O2/c17-13-6-2-1-5-12(13)16-20-15(23-21-16)8-7-14(22)19-11-4-3-9-18-10-11/h1-6,9-10H,7-8H2,(H,19,22)
InChIKeyHNHWKAJHFZEHHS-UHFFFAOYSA-N
XLogP2.84
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide (CID 866836) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide is O=C(CCc1nc(-c2ccccc2F)no1)Nc1cccnc1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is HNHWKAJHFZEHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-13-6-2-1-5-12(13)16-20-15(23-21-16)8-7-14(22)19-11-4-3-9-18-10-11/h1-6,9-10H,7-8H2,(H,19,22).
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide has a molecular weight of 312.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 866836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).