2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid

C25H26N2O5 — CID 10433053

IUPAC2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid
SMILESCCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3OC)oc2C)c1)C(=O)O
InChIInChI=1S/C25H26N2O5/c1-4-31-23(25(28)29)14-17-9-10-21-18(13-17)11-12-27(21)15-20-16(2)32-24(26-20)19-7-5-6-8-22(19)30-3/h5-13,23H,4,14-15H2,1-3H3,(H,28,29)
InChIKeyUVONRKUHROLAFB-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.69
Rot. Bonds9

About 2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid

2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid (PubChem CID 10433053) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid
PubChem CID10433053
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid
SMILESCCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3OC)oc2C)c1)C(=O)O
InChIInChI=1S/C25H26N2O5/c1-4-31-23(25(28)29)14-17-9-10-21-18(13-17)11-12-27(21)15-20-16(2)32-24(26-20)19-7-5-6-8-22(19)30-3/h5-13,23H,4,14-15H2,1-3H3,(H,28,29)
InChIKeyUVONRKUHROLAFB-UHFFFAOYSA-N
XLogP4.69
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic 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-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid (CID 10433053) is 2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid is CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3OC)oc2C)c1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid?
The InChIKey is UVONRKUHROLAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-4-31-23(25(28)29)14-17-9-10-21-18(13-17)11-12-27(21)15-20-16(2)32-24(26-20)19-7-5-6-8-22(19)30-3/h5-13,23H,4,14-15H2,1-3H3,(H,28,29).
What are the key properties of 2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid?
2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid has a molecular weight of 434.49 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid is sourced from PubChem (CID 10433053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).