6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid

C29H28Cl2N2O5 — CID 121411169

IUPAC6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid
SMILESCn1cc(C(=O)O)c2ccc(C3(O)CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21
InChIInChI=1S/C29H28Cl2N2O5/c1-33-14-20(28(34)35)19-8-7-17(13-24(19)33)29(36)11-9-18(10-12-29)37-15-21-26(32-38-27(21)16-5-6-16)25-22(30)3-2-4-23(25)31/h2-4,7-8,13-14,16,18,36H,5-6,9-12,15H2,1H3,(H,34,35)
InChIKeyMZPHSWGDRZJWMK-UHFFFAOYSA-N
MW555.46 g/mol
LogP7.06
Rot. Bonds7

About 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid

6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid (PubChem CID 121411169) has the molecular formula C29H28Cl2N2O5 and a molecular weight of 555.46 g/mol. Its IUPAC name is 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid
PubChem CID121411169
Molecular FormulaC29H28Cl2N2O5
Molecular Weight555.46 g/mol
Exact Mass554.14
IUPAC Name6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid
SMILESCn1cc(C(=O)O)c2ccc(C3(O)CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21
InChIInChI=1S/C29H28Cl2N2O5/c1-33-14-20(28(34)35)19-8-7-17(13-24(19)33)29(36)11-9-18(10-12-29)37-15-21-26(32-38-27(21)16-5-6-16)25-22(30)3-2-4-23(25)31/h2-4,7-8,13-14,16,18,36H,5-6,9-12,15H2,1H3,(H,34,35)
InChIKeyMZPHSWGDRZJWMK-UHFFFAOYSA-N
XLogP7.06
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.46
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-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-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]piperazin-1-yl]-1-methylindole-3-carboxylic acid
CID 155401334
methyl 6-[(3aS,6aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-methylindole-3-carboxylate
CID 134400316
2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1,3-benzothiazole-6-carboxylic acid
CID 121411016
2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
CID 121420744
6-[1-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2-methylpiperidin-4-yl]-1-methylindole-3-carboxylic acid
CID 155388195
6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-benzothiophene-3-carboxylic acid
CID 25204968
6-[5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylic acid
CID 155401419
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[6-(1,3-dimethylindol-6-yl)-6-azaspiro[3.4]octan-2-yl]oxymethyl]-1,2-oxazole
CID 158264479
6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid
CID 25204014
6-[2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methylidene]-7-azaspiro[3.5]nonan-7-yl]-1-methylindole-3-carboxylic acid
CID 142581778
2-[(1R,4S)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxy-2,2-dimethylcyclohexyl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
CID 121410759

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid?
The IUPAC name of 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid (CID 121411169) is 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid.
What is the SMILES notation for 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid?
The canonical SMILES for 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid is Cn1cc(C(=O)O)c2ccc(C3(O)CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)cc21.
What is the InChIKey of 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid?
The InChIKey is MZPHSWGDRZJWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N2O5/c1-33-14-20(28(34)35)19-8-7-17(13-24(19)33)29(36)11-9-18(10-12-29)37-15-21-26(32-38-27(21)16-5-6-16)25-22(30)3-2-4-23(25)31/h2-4,7-8,13-14,16,18,36H,5-6,9-12,15H2,1H3,(H,34,35).
What are the key properties of 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid?
6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid has a molecular weight of 555.46 g/mol, XLogP of 7.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-1-methylindole-3-carboxylic acid is sourced from PubChem (CID 121411169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).