N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide

C16H14N4O2 — CID 22520991

IUPACN-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc(-c2ccncc2)no1
InChIInChI=1S/C16H14N4O2/c1-20(11-12-5-3-2-4-6-12)16(21)15-18-14(19-22-15)13-7-9-17-10-8-13/h2-10H,11H2,1H3
InChIKeyGTAFPLHDJLRKLO-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.40
Rot. Bonds4

About N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide

N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 22520991) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID22520991
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc(-c2ccncc2)no1
InChIInChI=1S/C16H14N4O2/c1-20(11-12-5-3-2-4-6-12)16(21)15-18-14(19-22-15)13-7-9-17-10-8-13/h2-10H,11H2,1H3
InChIKeyGTAFPLHDJLRKLO-UHFFFAOYSA-N
XLogP2.40
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 42571411
N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569243
5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide
CID 68805700
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 22521001
N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 50958227
N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70760900

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide (CID 22520991) is N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide is CN(Cc1ccccc1)C(=O)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GTAFPLHDJLRKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-20(11-12-5-3-2-4-6-12)16(21)15-18-14(19-22-15)13-7-9-17-10-8-13/h2-10H,11H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 22520991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).