4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one

C15H17NO4 — CID 159426283

IUPAC4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one
SMILESO=C(CO)c1ccc2c(c1)N(CC1CCC1)C(=O)CO2
InChIInChI=1S/C15H17NO4/c17-8-13(18)11-4-5-14-12(6-11)16(15(19)9-20-14)7-10-2-1-3-10/h4-6,10,17H,1-3,7-9H2
InChIKeyXMORRFDLCYDCNP-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.39
Rot. Bonds4

About 4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one

4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one (PubChem CID 159426283) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one
PubChem CID159426283
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one
SMILESO=C(CO)c1ccc2c(c1)N(CC1CCC1)C(=O)CO2
InChIInChI=1S/C15H17NO4/c17-8-13(18)11-4-5-14-12(6-11)16(15(19)9-20-14)7-10-2-1-3-10/h4-6,10,17H,1-3,7-9H2
InChIKeyXMORRFDLCYDCNP-UHFFFAOYSA-N
XLogP1.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclobutylmethyl)-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646111
methyl 4-(cyclobutylmethyl)-3-oxo-1,4-benzoxazine-6-carboxylate
CID 126655700
4-(cyclohexylmethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-benzoxazin-3-one
CID 166449798
6-(2-hydroxyacetyl)-4-[(2-methoxy-4-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 159646536
6-amino-4-(piperidin-4-ylmethyl)-1,4-benzoxazin-3-one
CID 115209824
3-oxo-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-carboxylic acid
CID 82057944
N-cyclohexyl-2-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]acetamide
CID 42847182
3-[[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]-methylamino]propanoic acid
CID 94723734
4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012835
4-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 137356221
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanoic acid
CID 116917982
4-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645531

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one (CID 159426283) is 4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one is O=C(CO)c1ccc2c(c1)N(CC1CCC1)C(=O)CO2.
What is the InChIKey of 4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one?
The InChIKey is XMORRFDLCYDCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-8-13(18)11-4-5-14-12(6-11)16(15(19)9-20-14)7-10-2-1-3-10/h4-6,10,17H,1-3,7-9H2.
What are the key properties of 4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one?
4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one has a molecular weight of 275.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-6-(2-hydroxyacetyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 159426283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).