3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid

C24H23ClN2O4 — CID 10478320

IUPAC3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid
SMILESCCOC(Cc1cccc2c1ccn2Cc1nc(-c2ccccc2Cl)oc1C)C(=O)O
InChIInChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)13-16-7-6-10-21-17(16)11-12-27(21)14-20-15(2)31-23(26-20)18-8-4-5-9-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)
InChIKeyMHYWQYABEUVTGA-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.34
Rot. Bonds8

About 3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid

3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid (PubChem CID 10478320) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is 3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid
PubChem CID10478320
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC Name3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid
SMILESCCOC(Cc1cccc2c1ccn2Cc1nc(-c2ccccc2Cl)oc1C)C(=O)O
InChIInChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)13-16-7-6-10-21-17(16)11-12-27(21)14-20-15(2)31-23(26-20)18-8-4-5-9-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)
InChIKeyMHYWQYABEUVTGA-UHFFFAOYSA-N
XLogP5.34
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid with MolForge

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Related Compounds

2-ethoxy-3-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]indol-4-yl]propanoic acid
CID 10005008
2-ethoxy-3-[1-[[5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid
CID 10027350
(2R)-2-ethoxy-3-[1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid
CID 10094343
3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoic acid
CID 22273894
3-[1-[[2-(3,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]-2-ethoxypropanoic acid
CID 10412116
3-[1-[[2-(3,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-6-yl]-2-ethoxypropanoic acid
CID 11754179
2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56748666
(2S)-2-ethoxy-3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid
CID 69280484
ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate
CID 56749713
methyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-4-carboxylate
CID 56739922
(2S)-3-[4-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]-2-ethoxypropanoic acid
CID 69283390
methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 20883217

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid?
The IUPAC name of 3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid (CID 10478320) is 3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid.
What is the SMILES notation for 3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid?
The canonical SMILES for 3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid is CCOC(Cc1cccc2c1ccn2Cc1nc(-c2ccccc2Cl)oc1C)C(=O)O.
What is the InChIKey of 3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid?
The InChIKey is MHYWQYABEUVTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)13-16-7-6-10-21-17(16)11-12-27(21)14-20-15(2)31-23(26-20)18-8-4-5-9-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29).
What are the key properties of 3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid?
3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid has a molecular weight of 438.91 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-4-yl]-2-ethoxypropanoic acid is sourced from PubChem (CID 10478320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).