2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid

C13H13NO6 — CID 62234680

IUPAC2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCOc1cc(OC)c(-c2nc(C(=O)O)co2)cc1OC
InChIInChI=1S/C13H13NO6/c1-17-9-5-11(19-3)10(18-2)4-7(9)12-14-8(6-20-12)13(15)16/h4-6H,1-3H3,(H,15,16)
InChIKeyUNKITRQAUXMVMC-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.07
Rot. Bonds5

About 2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid

2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 62234680) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID62234680
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC Name2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCOc1cc(OC)c(-c2nc(C(=O)O)co2)cc1OC
InChIInChI=1S/C13H13NO6/c1-17-9-5-11(19-3)10(18-2)4-7(9)12-14-8(6-20-12)13(15)16/h4-6H,1-3H3,(H,15,16)
InChIKeyUNKITRQAUXMVMC-UHFFFAOYSA-N
XLogP2.07
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic 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-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid (CID 62234680) is 2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid is COc1cc(OC)c(-c2nc(C(=O)O)co2)cc1OC.
What is the InChIKey of 2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is UNKITRQAUXMVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO6/c1-17-9-5-11(19-3)10(18-2)4-7(9)12-14-8(6-20-12)13(15)16/h4-6H,1-3H3,(H,15,16).
What are the key properties of 2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid?
2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 279.25 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62234680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).