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

C23H22N2O4 — CID 10023279

IUPAC2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid
SMILESCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O
InChIInChI=1S/C23H22N2O4/c1-15-19(24-22(29-15)17-6-4-3-5-7-17)14-25-11-10-18-12-16(8-9-20(18)25)13-21(28-2)23(26)27/h3-12,21H,13-14H2,1-2H3,(H,26,27)
InChIKeyZYZXCPVWUZRARY-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.30
Rot. Bonds7

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

2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid (PubChem CID 10023279) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid
PubChem CID10023279
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid
SMILESCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O
InChIInChI=1S/C23H22N2O4/c1-15-19(24-22(29-15)17-6-4-3-5-7-17)14-25-11-10-18-12-16(8-9-20(18)25)13-21(28-2)23(26)27/h3-12,21H,13-14H2,1-2H3,(H,26,27)
InChIKeyZYZXCPVWUZRARY-UHFFFAOYSA-N
XLogP4.30
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-3-[1-[(5-methyl-2-phenyl-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-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid?
The IUPAC name of 2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid (CID 10023279) is 2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid?
The canonical SMILES for 2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid is COC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid?
The InChIKey is ZYZXCPVWUZRARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-19(24-22(29-15)17-6-4-3-5-7-17)14-25-11-10-18-12-16(8-9-20(18)25)13-21(28-2)23(26)27/h3-12,21H,13-14H2,1-2H3,(H,26,27).
What are the key properties of 2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid?
2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid has a molecular weight of 390.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propanoic acid is sourced from PubChem (CID 10023279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).