ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate

C12H13NO4 — CID 2056744

IUPACethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)oc2ccc(C)cc21
InChIInChI=1S/C12H13NO4/c1-3-16-11(14)7-13-9-6-8(2)4-5-10(9)17-12(13)15/h4-6H,3,7H2,1-2H3
InChIKeyDIIXTIKZEOGSPV-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.47
Rot. Bonds3

About ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate

ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 2056744) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID2056744
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Nameethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)oc2ccc(C)cc21
InChIInChI=1S/C12H13NO4/c1-3-16-11(14)7-13-9-6-8(2)4-5-10(9)17-12(13)15/h4-6H,3,7H2,1-2H3
InChIKeyDIIXTIKZEOGSPV-UHFFFAOYSA-N
XLogP1.47
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate (CID 2056744) is ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate is CCOC(=O)Cn1c(=O)oc2ccc(C)cc21.
What is the InChIKey of ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is DIIXTIKZEOGSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-3-16-11(14)7-13-9-6-8(2)4-5-10(9)17-12(13)15/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate?
ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 235.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 2056744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).