N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide

C17H15N3O2 — CID 1247975

IUPACN-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCNC(=O)c1ccccc1-c1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C17H15N3O2/c1-11-6-5-7-12(10-11)15-19-17(22-20-15)14-9-4-3-8-13(14)16(21)18-2/h3-10H,1-2H3,(H,18,21)
InChIKeyNLRYUFHURIPQEL-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.07
Rot. Bonds3

About N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide

N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 1247975) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID1247975
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCNC(=O)c1ccccc1-c1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C17H15N3O2/c1-11-6-5-7-12(10-11)15-19-17(22-20-15)14-9-4-3-8-13(14)16(21)18-2/h3-10H,1-2H3,(H,18,21)
InChIKeyNLRYUFHURIPQEL-UHFFFAOYSA-N
XLogP3.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide
CID 168653735
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
N-(2-methoxy-5-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50764352
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 3730602
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3742791
(4-methylphenyl)-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 8895567
5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 168526202
methyl 4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino]-4-oxobutanoate
CID 46266834
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-pyrimidin-2-ylacetamide
CID 50746144
N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471451

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 1247975) is N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide is CNC(=O)c1ccccc1-c1nc(-c2cccc(C)c2)no1.
What is the InChIKey of N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is NLRYUFHURIPQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-6-5-7-12(10-11)15-19-17(22-20-15)14-9-4-3-8-13(14)16(21)18-2/h3-10H,1-2H3,(H,18,21).
What are the key properties of N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 293.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 1247975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).