2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide

C17H16N2O2 — CID 110785096

IUPAC2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide
SMILESCc1nc2ccc(CNC(=O)c3ccccc3C)cc2o1
InChIInChI=1S/C17H16N2O2/c1-11-5-3-4-6-14(11)17(20)18-10-13-7-8-15-16(9-13)21-12(2)19-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyNPWKZLKGALCVCI-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.37
Rot. Bonds3

About 2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide

2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide (PubChem CID 110785096) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide
PubChem CID110785096
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide
SMILESCc1nc2ccc(CNC(=O)c3ccccc3C)cc2o1
InChIInChI=1S/C17H16N2O2/c1-11-5-3-4-6-14(11)17(20)18-10-13-7-8-15-16(9-13)21-12(2)19-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyNPWKZLKGALCVCI-UHFFFAOYSA-N
XLogP3.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(quinolin-6-ylmethyl)benzamide
CID 110472091
2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794630
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794633
4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide
CID 115155728
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide
CID 714012
2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
CID 110387916
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate
CID 110772027
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 77087766
N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 114312955
1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
CID 115169390

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide?
The IUPAC name of 2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide (CID 110785096) is 2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide?
The canonical SMILES for 2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide is Cc1nc2ccc(CNC(=O)c3ccccc3C)cc2o1.
What is the InChIKey of 2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide?
The InChIKey is NPWKZLKGALCVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-5-3-4-6-14(11)17(20)18-10-13-7-8-15-16(9-13)21-12(2)19-15/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide?
2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide is sourced from PubChem (CID 110785096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).