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

C31H28Cl2N2O4 — CID 24752300

IUPAC2-[6-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1-methylindol-3-yl]acetic acid
SMILESCc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1-c1ccc2c(CC(=O)O)cn(C)c2c1
InChIInChI=1S/C31H28Cl2N2O4/c1-17(2)31-24(30(34-39-31)29-25(32)6-5-7-26(29)33)16-38-21-9-11-22(18(3)12-21)19-8-10-23-20(14-28(36)37)15-35(4)27(23)13-19/h5-13,15,17H,14,16H2,1-4H3,(H,36,37)
InChIKeyUSJAQFJCJXFOSJ-UHFFFAOYSA-N
MW563.48 g/mol
LogP8.45
Rot. Bonds8

About 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

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 (PubChem CID 24752300) has the molecular formula C31H28Cl2N2O4 and a molecular weight of 563.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[6-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1-methylindol-3-yl]acetic acid
PubChem CID24752300
Molecular FormulaC31H28Cl2N2O4
Molecular Weight563.48 g/mol
Exact Mass562.14
IUPAC Name2-[6-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1-methylindol-3-yl]acetic acid
SMILESCc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1-c1ccc2c(CC(=O)O)cn(C)c2c1
InChIInChI=1S/C31H28Cl2N2O4/c1-17(2)31-24(30(34-39-31)29-25(32)6-5-7-26(29)33)16-38-21-9-11-22(18(3)12-21)19-8-10-23-20(14-28(36)37)15-35(4)27(23)13-19/h5-13,15,17H,14,16H2,1-4H3,(H,36,37)
InChIKeyUSJAQFJCJXFOSJ-UHFFFAOYSA-N
XLogP8.45
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.48
LogP ≤ 58.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1-methylindole-3-carboxylic acid
CID 24752299
3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]methoxy]benzoic acid
CID 10256324
4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenol
CID 69209967
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-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid
CID 143525142
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
methyl 3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]benzoate
CID 146302377
6-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-methylphenyl]-1-methylindole-3-carboxylic acid
CID 68535036
methyl 4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenoxy]methyl]benzoate
CID 58755325
CID 153394994
CID 153394994

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1-c1ccc2c(CC(=O)O)cn(C)c2c1.
What is the InChIKey of 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?
The InChIKey is USJAQFJCJXFOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28Cl2N2O4/c1-17(2)31-24(30(34-39-31)29-25(32)6-5-7-26(29)33)16-38-21-9-11-22(18(3)12-21)19-8-10-23-20(14-28(36)37)15-35(4)27(23)13-19/h5-13,15,17H,14,16H2,1-4H3,(H,36,37).
What are the key properties of 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?
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 has a molecular weight of 563.48 g/mol, XLogP of 8.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24752300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).