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

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Related Compounds

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
CID 1991339
N-(6-Chloro-1,8-naphthyridin-3-yl)-3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propanamide
CID 25034140
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 9968741
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10109052
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10133038
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(2-pyridinylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10156141
(3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-Nhydroxyhexanamide
CID 16748896
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(3-pyridinylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 16748901
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-pyridinylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 16749000
N-(2-phenylcyclopropyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44232522
4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-N-(4-(trifluoromethyl)phenyl)piperidine-1-carboxamide
CID 44236320
N-(2-phenylcyclopropyl)-4-(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45272510

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).