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

C15H11FN4O2 — CID 110392445

IUPAC5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C15H11FN4O2/c16-11-5-3-4-10(8-11)14-19-20-15(22-14)13(21)18-9-12-6-1-2-7-17-12/h1-8H,9H2,(H,18,21)
InChIKeyGVAGCIOJKDPLDI-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.20
Rot. Bonds4

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

5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392445) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392445
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C15H11FN4O2/c16-11-5-3-4-10(8-11)14-19-20-15(22-14)13(21)18-9-12-6-1-2-7-17-12/h1-8H,9H2,(H,18,21)
InChIKeyGVAGCIOJKDPLDI-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-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 29133788
5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392448
5-(3-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392496
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 46104880
5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392497
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 50848243
2-(3-fluorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859893
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392445) is 5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccccn1)c1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is GVAGCIOJKDPLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-11-5-3-4-10(8-11)14-19-20-15(22-14)13(21)18-9-12-6-1-2-7-17-12/h1-8H,9H2,(H,18,21).
What are the key properties of 5-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3-fluorophenyl)-N-(pyridin-2-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-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).