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

C12H16N2O3 — CID 115133179

IUPAC5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(NC(C)(C)CO)cc21
InChIInChI=1S/C12H16N2O3/c1-12(2,7-15)13-8-4-5-10-9(6-8)14(3)11(16)17-10/h4-6,13,15H,7H2,1-3H3
InChIKeyUEBZOZPAPZRSET-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.31
Rot. Bonds3

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

5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 115133179) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one
PubChem CID115133179
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(NC(C)(C)CO)cc21
InChIInChI=1S/C12H16N2O3/c1-12(2,7-15)13-8-4-5-10-9(6-8)14(3)11(16)17-10/h4-6,13,15H,7H2,1-3H3
InChIKeyUEBZOZPAPZRSET-UHFFFAOYSA-N
XLogP1.31
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]propanenitrile
CID 115129047
3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 83547008
5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one
CID 115258275
3-methyl-5-(3-oxobutylamino)-1,3-benzoxazol-2-one
CID 115235442
5-[[1-(hydroxymethyl)cyclobutyl]methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115246757
5-(1-amino-3-hydroxy-2-methylpropan-2-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116835434
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137
2-amino-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)pentanamide;hydrochloride
CID 119768168
3-hydroxy-4-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115122894
methyl 4-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]butanoate
CID 115233318
N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683308
2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione
CID 75478267

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one (CID 115133179) is 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2ccc(NC(C)(C)CO)cc21.
What is the InChIKey of 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is UEBZOZPAPZRSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2,7-15)13-8-4-5-10-9(6-8)14(3)11(16)17-10/h4-6,13,15H,7H2,1-3H3.
What are the key properties of 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one?
5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 115133179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).