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

C15H12N4O2 — CID 22431716

IUPAC5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H12N4O2/c20-13(17-10-11-5-4-8-16-9-11)15-19-18-14(21-15)12-6-2-1-3-7-12/h1-9H,10H2,(H,17,20)
InChIKeyXRQWBOHOBHSLQV-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.06
Rot. Bonds4

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

5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431716) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431716
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H12N4O2/c20-13(17-10-11-5-4-8-16-9-11)15-19-18-14(21-15)12-6-2-1-3-7-12/h1-9H,10H2,(H,17,20)
InChIKeyXRQWBOHOBHSLQV-UHFFFAOYSA-N
XLogP2.06
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392260
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 50848268
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110681421
5-(4-piperidin-1-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837184
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 110653671
N-benzyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 758301
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391670

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 22431716) is 5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1cccnc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XRQWBOHOBHSLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-13(17-10-11-5-4-8-16-9-11)15-19-18-14(21-15)12-6-2-1-3-7-12/h1-9H,10H2,(H,17,20).
What are the key properties of 5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).