5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one

C11H14N2O3 — CID 83822765

IUPAC5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCC(C)(O)CNc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H14N2O3/c1-11(2,15)6-12-7-3-4-9-8(5-7)13-10(14)16-9/h3-5,12,15H,6H2,1-2H3,(H,13,14)
InChIKeyILAZDVRLCXUXER-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.30
Rot. Bonds3

About 5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one

5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 83822765) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID83822765
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCC(C)(O)CNc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H14N2O3/c1-11(2,15)6-12-7-3-4-9-8(5-7)13-10(14)16-9/h3-5,12,15H,6H2,1-2H3,(H,13,14)
InChIKeyILAZDVRLCXUXER-UHFFFAOYSA-N
XLogP1.30
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-amino-2-methylpropan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115131689
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452
5-[(4-amino-2-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115134489
5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793336
5-[(2-amino-3-hydroxypropyl)amino]-3H-1,3-benzoxazol-2-one
CID 115120328
5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one
CID 117283453
5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741465
2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 55121279
2,2-dimethyl-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 65302361
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793337

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one (CID 83822765) is 5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one is CC(C)(O)CNc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is ILAZDVRLCXUXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2,15)6-12-7-3-4-9-8(5-7)13-10(14)16-9/h3-5,12,15H,6H2,1-2H3,(H,13,14).
What are the key properties of 5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one?
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 222.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 83822765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).