2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide

C17H16N2O2 — CID 110387916

IUPAC2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3ccccc3C)ccc2o1
InChIInChI=1S/C17H16N2O2/c1-11-5-3-4-6-14(11)10-18-17(20)13-7-8-16-15(9-13)19-12(2)21-16/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeySSLQRANGJPVSOX-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.37
Rot. Bonds3

About 2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide

2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 110387916) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
PubChem CID110387916
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3ccccc3C)ccc2o1
InChIInChI=1S/C17H16N2O2/c1-11-5-3-4-6-14(11)10-18-17(20)13-7-8-16-15(9-13)19-12(2)21-16/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeySSLQRANGJPVSOX-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-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide
CID 142236666
2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786404
3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110794896
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 144948628
2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110785096
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387937
N-[(2-methylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 110850726
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide (CID 110387916) is 2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide is Cc1nc2cc(C(=O)NCc3ccccc3C)ccc2o1.
What is the InChIKey of 2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is SSLQRANGJPVSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-5-3-4-6-14(11)10-18-17(20)13-7-8-16-15(9-13)19-12(2)21-16/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide?
2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide 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-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110387916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).