1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone

C11H12N2O3 — CID 84787306

IUPAC1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc2nc(C)oc2c1O
InChIInChI=1S/C11H12N2O3/c1-6-13-8-4-3-7(9(14)5-12-2)10(15)11(8)16-6/h3-4,12,15H,5H2,1-2H3
InChIKeySZLHCWNWBUKYDE-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.24
Rot. Bonds3

About 1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone

1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone (PubChem CID 84787306) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone
PubChem CID84787306
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc2nc(C)oc2c1O
InChIInChI=1S/C11H12N2O3/c1-6-13-8-4-3-7(9(14)5-12-2)10(15)11(8)16-6/h3-4,12,15H,5H2,1-2H3
InChIKeySZLHCWNWBUKYDE-UHFFFAOYSA-N
XLogP1.24
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)acetic acid
CID 84779330
1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84709294
1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone
CID 84810199
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157
2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531010
6-(4-aminobutan-2-yl)-2-methyl-1,3-benzoxazol-7-ol
CID 84787439
1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone
CID 96737699
6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol
CID 84777802
6-[2-(1-aminocyclopropyl)ethyl]-2-methyl-1,3-benzoxazol-7-ol
CID 105491077
2-(2-methyl-1,3-benzoxazol-7-yl)-2-oxoacetic acid
CID 117293084
1-(4,5-dihydroxy-2,3-dimethylphenyl)-2-(methylamino)ethanone
CID 117298446

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone (CID 84787306) is 1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone is CNCC(=O)c1ccc2nc(C)oc2c1O.
What is the InChIKey of 1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone?
The InChIKey is SZLHCWNWBUKYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-13-8-4-3-7(9(14)5-12-2)10(15)11(8)16-6/h3-4,12,15H,5H2,1-2H3.
What are the key properties of 1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone?
1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone has a molecular weight of 220.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-2-methyl-1,3-benzoxazol-6-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 84787306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).