2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid

C13H13NO6 — CID 118803300

IUPAC2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid
SMILESCCOC(=O)Cc1cccc2oc(C(O)C(=O)O)nc12
InChIInChI=1S/C13H13NO6/c1-2-19-9(15)6-7-4-3-5-8-10(7)14-12(20-8)11(16)13(17)18/h3-5,11,16H,2,6H2,1H3,(H,17,18)
InChIKeyIVVZZQKCASRNID-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.05
Rot. Bonds5

About 2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid

2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid (PubChem CID 118803300) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid
PubChem CID118803300
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC Name2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid
SMILESCCOC(=O)Cc1cccc2oc(C(O)C(=O)O)nc12
InChIInChI=1S/C13H13NO6/c1-2-19-9(15)6-7-4-3-5-8-10(7)14-12(20-8)11(16)13(17)18/h3-5,11,16H,2,6H2,1H3,(H,17,18)
InChIKeyIVVZZQKCASRNID-UHFFFAOYSA-N
XLogP1.05
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid 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 2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid (CID 118803300) is 2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid is CCOC(=O)Cc1cccc2oc(C(O)C(=O)O)nc12.
What is the InChIKey of 2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid?
The InChIKey is IVVZZQKCASRNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO6/c1-2-19-9(15)6-7-4-3-5-8-10(7)14-12(20-8)11(16)13(17)18/h3-5,11,16H,2,6H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid?
2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid has a molecular weight of 279.25 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 118803300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).