5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

C15H11FN4O2 — CID 110392260

IUPAC5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C15H11FN4O2/c16-12-6-2-1-5-11(12)14-19-20-15(22-14)13(21)18-9-10-4-3-7-17-8-10/h1-8H,9H2,(H,18,21)
InChIKeyORLIAJIZOFMOSU-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.20
Rot. Bonds4

About 5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392260) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392260
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C15H11FN4O2/c16-12-6-2-1-5-11(12)14-19-20-15(22-14)13(21)18-9-10-4-3-7-17-8-10/h1-8H,9H2,(H,18,21)
InChIKeyORLIAJIZOFMOSU-UHFFFAOYSA-N
XLogP2.20
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431716
2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 122175341
5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392294
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391670
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
5-(4-piperidin-1-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837184
3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 110334156
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392233
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392260) is 5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1cccnc1)c1nnc(-c2ccccc2F)o1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ORLIAJIZOFMOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-12-6-2-1-5-11(12)14-19-20-15(22-14)13(21)18-9-10-4-3-7-17-8-10/h1-8H,9H2,(H,18,21).
What are the key properties of 5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 298.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).