3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one

C11H12N2O3 — CID 13038876

IUPAC3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
SMILESCNCC(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C11H12N2O3/c1-12-6-9(14)7-3-4-8-10(5-7)16-11(15)13(8)2/h3-5,12H,6H2,1-2H3
InChIKeyLLPPGQZICUITPD-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.53
Rot. Bonds3

About 3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one

3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one (PubChem CID 13038876) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
PubChem CID13038876
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
SMILESCNCC(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C11H12N2O3/c1-12-6-9(14)7-3-4-8-10(5-7)16-11(15)13(8)2/h3-5,12H,6H2,1-2H3
InChIKeyLLPPGQZICUITPD-UHFFFAOYSA-N
XLogP0.53
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
CID 82493952
3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
CID 116843326
6-hexanoyl-3-methyl-1,3-benzoxazol-2-one
CID 55053743
6-(4-aminobutanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341275
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-oxobutanoic acid
CID 15644560
4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-oxobutanenitrile
CID 116862125
3-methyl-6-(2-pyrimidin-2-ylacetyl)-1,3-benzoxazol-2-one
CID 116833080
3-methyl-5-[3-(methylamino)propanoyl]-1,3-benzoxazol-2-one
CID 82496255
6-(2,2-dimethylpropanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275157
N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766529
ethyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxoacetate
CID 55054066

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one (CID 13038876) is 3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one is CNCC(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one?
The InChIKey is LLPPGQZICUITPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-12-6-9(14)7-3-4-8-10(5-7)16-11(15)13(8)2/h3-5,12H,6H2,1-2H3.
What are the key properties of 3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one?
3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 13038876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).