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

C15H12N4O2 — CID 6472637

IUPAC3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H12N4O2/c20-14(17-10-11-6-8-16-9-7-11)15-18-13(19-21-15)12-4-2-1-3-5-12/h1-9H,10H2,(H,17,20)
InChIKeySSISSNVHJQGKST-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.06
Rot. Bonds4

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

3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 6472637) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID6472637
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H12N4O2/c20-14(17-10-11-6-8-16-9-7-11)15-18-13(19-21-15)12-4-2-1-3-5-12/h1-9H,10H2,(H,17,20)
InChIKeySSISSNVHJQGKST-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

3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42537666
3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 22521001
N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471451
N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569243
3-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5299617
3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16764583
N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41129917
N-[(3-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521077
N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521078
N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520991
N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827823
N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 11372206

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 6472637) is 3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccncc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is SSISSNVHJQGKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14(17-10-11-6-8-16-9-7-11)15-18-13(19-21-15)12-4-2-1-3-5-12/h1-9H,10H2,(H,17,20).
What are the key properties of 3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-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 3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 6472637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).