5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one

C13H19N3O2 — CID 115131826

IUPAC5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
SMILESCN(c1ccc2oc(=O)n(C)c2c1)C(C)(C)CN
InChIInChI=1S/C13H19N3O2/c1-13(2,8-14)16(4)9-5-6-11-10(7-9)15(3)12(17)18-11/h5-7H,8,14H2,1-4H3
InChIKeyNDGRYHHXZKUCLX-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.30
Rot. Bonds3

About 5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one

5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 115131826) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
PubChem CID115131826
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
SMILESCN(c1ccc2oc(=O)n(C)c2c1)C(C)(C)CN
InChIInChI=1S/C13H19N3O2/c1-13(2,8-14)16(4)9-5-6-11-10(7-9)15(3)12(17)18-11/h5-7H,8,14H2,1-4H3
InChIKeyNDGRYHHXZKUCLX-UHFFFAOYSA-N
XLogP1.30
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-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-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115199956
5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
CID 117043635
5-[(2-amino-3-hydroxypropyl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115120469
5-[1-aminopropan-2-yl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 117039935
2-methyl-3-[methyl-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]propanoic acid
CID 115219367
5-(1-amino-3-hydroxy-2-methylpropan-2-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116835434
2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115161945
1-cyano-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)formamide
CID 115172068
5-(1,2-diamino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932683
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
3-methyl-5-[[methyl(methylaminomethyl)amino]methyl]-1,3-benzoxazol-2-one
CID 115227065
1-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]urea
CID 115168436

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one (CID 115131826) is 5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one is CN(c1ccc2oc(=O)n(C)c2c1)C(C)(C)CN.
What is the InChIKey of 5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is NDGRYHHXZKUCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,8-14)16(4)9-5-6-11-10(7-9)15(3)12(17)18-11/h5-7H,8,14H2,1-4H3.
What are the key properties of 5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one?
5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 115131826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).