6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid

C27H20Cl2N2O4 — CID 143525142

IUPAC6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid
SMILESCc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C)ccc1-c1ccc2c(C(=O)O)c[nH]c2c1
InChIInChI=1S/C27H20Cl2N2O4/c1-14-10-17(7-9-18(14)16-6-8-19-20(27(32)33)12-30-24(19)11-16)34-13-21-15(2)35-31-26(21)25-22(28)4-3-5-23(25)29/h3-12,30H,13H2,1-2H3,(H,32,33)
InChIKeyBOHQNSXDYDLIFW-UHFFFAOYSA-N
MW507.37 g/mol
LogP7.69
Rot. Bonds6

About 6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid

6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid (PubChem CID 143525142) has the molecular formula C27H20Cl2N2O4 and a molecular weight of 507.37 g/mol. Its IUPAC name is 6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid
PubChem CID143525142
Molecular FormulaC27H20Cl2N2O4
Molecular Weight507.37 g/mol
Exact Mass506.08
IUPAC Name6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid
SMILESCc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C)ccc1-c1ccc2c(C(=O)O)c[nH]c2c1
InChIInChI=1S/C27H20Cl2N2O4/c1-14-10-17(7-9-18(14)16-6-8-19-20(27(32)33)12-30-24(19)11-16)34-13-21-15(2)35-31-26(21)25-22(28)4-3-5-23(25)29/h3-12,30H,13H2,1-2H3,(H,32,33)
InChIKeyBOHQNSXDYDLIFW-UHFFFAOYSA-N
XLogP7.69
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.37
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-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

Related Compounds

6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1-methylindole-3-carboxylic acid
CID 24752299
6-[1-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]azetidin-3-yl]-1H-indole-3-carboxylic acid
CID 130294440
2-[6-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1-methylindol-3-yl]acetic acid
CID 24752300
6-[4-[[3-(3,5-dichloro-4-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1-methylindole-3-carboxylic acid
CID 25220917
3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]methoxy]benzoic acid
CID 10256324
2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1-benzothiophene-6-carboxylic acid
CID 58088361
6-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-4-methylquinoline-2-carboxylic acid
CID 53322705
6-(2-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306172
3-[(E)-2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]ethenyl]benzoic acid
CID 10554022
4-[5-[[3-(2,6-dichlorophenyl)-5-propyl-1,2-oxazol-4-yl]methoxy]-1-benzothiophen-2-yl]benzoic acid
CID 68726090
4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenol
CID 69209967
6-[4-[[3-(2,6-dichlorophenyl)-5-propyl-1,2-oxazol-4-yl]methoxy]phenyl]-4-methylquinazoline-2-carboxylic acid
CID 69008146

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid (CID 143525142) is 6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid is Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C)ccc1-c1ccc2c(C(=O)O)c[nH]c2c1.
What is the InChIKey of 6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid?
The InChIKey is BOHQNSXDYDLIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N2O4/c1-14-10-17(7-9-18(14)16-6-8-19-20(27(32)33)12-30-24(19)11-16)34-13-21-15(2)35-31-26(21)25-22(28)4-3-5-23(25)29/h3-12,30H,13H2,1-2H3,(H,32,33).
What are the key properties of 6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid?
6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid has a molecular weight of 507.37 g/mol, XLogP of 7.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 143525142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).