5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one

C17H18N2O2 — CID 43741465

IUPAC5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESCc1cc(C)c(CNc2ccc3oc(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C17H18N2O2/c1-10-6-11(2)14(12(3)7-10)9-18-13-4-5-16-15(8-13)19-17(20)21-16/h4-8,18H,9H2,1-3H3,(H,19,20)
InChIKeyYYGGOSKGJXUCMW-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.66
Rot. Bonds3

About 5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one

5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 43741465) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one
PubChem CID43741465
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESCc1cc(C)c(CNc2ccc3oc(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C17H18N2O2/c1-10-6-11(2)14(12(3)7-10)9-18-13-4-5-16-15(8-13)19-17(20)21-16/h4-8,18H,9H2,1-3H3,(H,19,20)
InChIKeyYYGGOSKGJXUCMW-UHFFFAOYSA-N
XLogP3.66
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741423
5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793336
5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 28622210
5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452
5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793337
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
5-(furan-3-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 63204507
5-[(5-iodofuran-2-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43790112
5-[(1-methylpyrrol-2-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 62133508
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
5-(oxolan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 82835738
5-[(3-bromophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741453

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one (CID 43741465) is 5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one is Cc1cc(C)c(CNc2ccc3oc(=O)[nH]c3c2)c(C)c1.
What is the InChIKey of 5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is YYGGOSKGJXUCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-6-11(2)14(12(3)7-10)9-18-13-4-5-16-15(8-13)19-17(20)21-16/h4-8,18H,9H2,1-3H3,(H,19,20).
What are the key properties of 5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one?
5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43741465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).