5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one

C10H11NO3 — CID 117283453

IUPAC5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one
SMILESCC(C)(O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C10H11NO3/c1-10(2,13)6-3-4-8-7(5-6)11-9(12)14-8/h3-5,13H,1-2H3,(H,11,12)
InChIKeyUYZJJRUREDTICE-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.35
Rot. Bonds1

About 5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one

5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 117283453) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one
PubChem CID117283453
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one
SMILESCC(C)(O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C10H11NO3/c1-10(2,13)6-3-4-8-7(5-6)11-9(12)14-8/h3-5,13H,1-2H3,(H,11,12)
InChIKeyUYZJJRUREDTICE-UHFFFAOYSA-N
XLogP1.35
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-hydroxypropan-2-yl)-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-(2-amino-1,1-difluoro-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 116839450
N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide
CID 116847217
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
1-amino-3-[2-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propyl]urea
CID 115193194
5-[2-methyl-1-[2-(methylamino)ethylamino]propan-2-yl]-3H-1,3-benzoxazol-2-one
CID 115196207
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one
CID 116841733
5-[(1-amino-2-methylpropan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115131689
2-[[2-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propyl]amino]propanenitrile
CID 115130684
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
5-(3-amino-3-methylbutanoyl)-3H-1,3-benzoxazol-2-one
CID 116915773
2,2-dimethyl-3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanoic acid
CID 116918130

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one (CID 117283453) is 5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one is CC(C)(O)c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is UYZJJRUREDTICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-10(2,13)6-3-4-8-7(5-6)11-9(12)14-8/h3-5,13H,1-2H3,(H,11,12).
What are the key properties of 5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one?
5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 193.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 117283453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).