ethyl 2-oxo-1,3-benzoxazole-3-carboxylate

C10H9NO4 — CID 28445

IUPACethyl 2-oxo-1,3-benzoxazole-3-carboxylate
SMILESCCOC(=O)n1c(=O)oc2ccccc21
InChIInChI=1S/C10H9NO4/c1-2-14-9(12)11-7-5-3-4-6-8(7)15-10(11)13/h3-6H,2H2,1H3
InChIKeyGNKDZBUSDLIVPQ-UHFFFAOYSA-N
MW207.18 g/mol
LogP1.60
Rot. Bonds1

About ethyl 2-oxo-1,3-benzoxazole-3-carboxylate

ethyl 2-oxo-1,3-benzoxazole-3-carboxylate (PubChem CID 28445) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is ethyl 2-oxo-1,3-benzoxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1,3-benzoxazole-3-carboxylate
PubChem CID28445
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Nameethyl 2-oxo-1,3-benzoxazole-3-carboxylate
SMILESCCOC(=O)n1c(=O)oc2ccccc21
InChIInChI=1S/C10H9NO4/c1-2-14-9(12)11-7-5-3-4-6-8(7)15-10(11)13/h3-6H,2H2,1H3
InChIKeyGNKDZBUSDLIVPQ-UHFFFAOYSA-N
XLogP1.60
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-oxo-1,3-benzoxazole-3-carboxylate 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-oxo-1,3-benzoxazole-3-carboxylate?
The IUPAC name of ethyl 2-oxo-1,3-benzoxazole-3-carboxylate (CID 28445) is ethyl 2-oxo-1,3-benzoxazole-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1,3-benzoxazole-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-1,3-benzoxazole-3-carboxylate is CCOC(=O)n1c(=O)oc2ccccc21.
What is the InChIKey of ethyl 2-oxo-1,3-benzoxazole-3-carboxylate?
The InChIKey is GNKDZBUSDLIVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-2-14-9(12)11-7-5-3-4-6-8(7)15-10(11)13/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-oxo-1,3-benzoxazole-3-carboxylate?
ethyl 2-oxo-1,3-benzoxazole-3-carboxylate has a molecular weight of 207.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1,3-benzoxazole-3-carboxylate is sourced from PubChem (CID 28445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).