N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide

C17H15N3O2 — CID 6471451

IUPACN-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cccc(-c2noc(C(=O)NCc3ccccc3)n2)c1
InChIInChI=1S/C17H15N3O2/c1-12-6-5-9-14(10-12)15-19-17(22-20-15)16(21)18-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,21)
InChIKeyJWXZNLQNLPYNQS-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.98
Rot. Bonds4

About N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide

N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 6471451) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID6471451
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cccc(-c2noc(C(=O)NCc3ccccc3)n2)c1
InChIInChI=1S/C17H15N3O2/c1-12-6-5-9-14(10-12)15-19-17(22-20-15)16(21)18-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,21)
InChIKeyJWXZNLQNLPYNQS-UHFFFAOYSA-N
XLogP2.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104839
3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(3-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53104936
2-benzylsulfanyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8796677
N-[(3-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521077
N-[(3-bromophenyl)methyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50834126
N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471248
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
3-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 20931812
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
2-benzylsulfanyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132655000
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 50755617

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide (CID 6471451) is N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide is Cc1cccc(-c2noc(C(=O)NCc3ccccc3)n2)c1.
What is the InChIKey of N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is JWXZNLQNLPYNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-6-5-9-14(10-12)15-19-17(22-20-15)16(21)18-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide?
N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 6471451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).