N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide

C12H14N2O3 — CID 115178685

IUPACN-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)O)c1ccc2ncoc2c1
InChIInChI=1S/C12H14N2O3/c1-12(2,16)11(15)14(3)8-4-5-9-10(6-8)17-7-13-9/h4-7,16H,1-3H3
InChIKeyIATOMFDDXKRALY-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.56
Rot. Bonds2

About N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide

N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide (PubChem CID 115178685) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide
PubChem CID115178685
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)O)c1ccc2ncoc2c1
InChIInChI=1S/C12H14N2O3/c1-12(2,16)11(15)14(3)8-4-5-9-10(6-8)17-7-13-9/h4-7,16H,1-3H3
InChIKeyIATOMFDDXKRALY-UHFFFAOYSA-N
XLogP1.56
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1,3-benzoxazol-6-yl)-N,3,3-trimethylbutanamide
CID 115157280
3-[1,3-benzoxazol-6-yl(methyl)amino]-3-methylbutanoic acid
CID 117042368
4-[1,3-benzoxazol-6-yl(methyl)amino]-2-methyl-4-oxobutanoic acid
CID 115165031
ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate
CID 115128756
3-amino-4-[1,3-benzoxazol-6-yl(methyl)amino]-4-oxobutanoic acid
CID 115181281
4-amino-N-(1,3-benzoxazol-6-yl)-N,2-dimethylbutanamide
CID 115155993
1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide
CID 115182634
methyl 2-[1,3-benzoxazol-6-yl(methyl)amino]acetate
CID 115232814
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide
CID 115154699
3-(1,3-benzoxazol-6-yl)-3-(dimethylamino)-2,2-dimethylpropanoic acid
CID 116907995
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178677
N-(3-chloropropyl)-N-methyl-1,3-benzoxazol-6-amine
CID 115215548

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide (CID 115178685) is N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)O)c1ccc2ncoc2c1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide?
The InChIKey is IATOMFDDXKRALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(2,16)11(15)14(3)8-4-5-9-10(6-8)17-7-13-9/h4-7,16H,1-3H3.
What are the key properties of N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide?
N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide has a molecular weight of 234.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-2-hydroxy-N,2-dimethylpropanamide is sourced from PubChem (CID 115178685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).