6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid

C30H29F3N2O5 — CID 25204014

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

6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid (PubChem CID 25204014) has the molecular formula C30H29F3N2O5 and a molecular weight of 554.57 g/mol. Its IUPAC name is 6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid
• PubChem CID: 25204014
• Molecular Formula: C30H29F3N2O5
• Molecular Weight: 554.57 g/mol
• Exact Mass: 554.20
• IUPAC Name: 6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid
• SMILES: Cn1cc(C(=O)O)c2ccc(C3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)cc21
• InChI: InChI=1S/C30H29F3N2O5/c1-35-15-23(29(36)37)21-13-10-19(14-25(21)35)17-8-11-20(12-9-17)38-16-24-27(34-40-28(24)18-6-7-18)22-4-2-3-5-26(22)39-30(31,32)33/h2-5,10,13-15,17-18,20H,6-9,11-12,16H2,1H3,(H,36,37)
• InChIKey: GMKJZUNUHWUPRV-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 86.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.57
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid?

The IUPAC name of 6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid (CID 25204014) is 6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid.

What is the SMILES notation for 6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid?

The canonical SMILES for 6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid is Cn1cc(C(=O)O)c2ccc(C3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)cc21.

What is the InChIKey of 6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid?

The InChIKey is GMKJZUNUHWUPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N2O5/c1-35-15-23(29(36)37)21-13-10-19(14-25(21)35)17-8-11-20(12-9-17)38-16-24-27(34-40-28(24)18-6-7-18)22-4-2-3-5-26(22)39-30(31,32)33/h2-5,10,13-15,17-18,20H,6-9,11-12,16H2,1H3,(H,36,37).

What are the key properties of 6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid?

6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid has a molecular weight of 554.57 g/mol, XLogP of 7.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid is sourced from PubChem (CID 25204014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).