1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid

C31H29N3O6 — CID 68677163

About 1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid

1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 68677163) has the molecular formula C31H29N3O6 and a molecular weight of 539.59 g/mol. Its IUPAC name is 1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
• PubChem CID: 68677163
• Molecular Formula: C31H29N3O6
• Molecular Weight: 539.59 g/mol
• Exact Mass: 539.21
• IUPAC Name: 1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
• SMILES: Cc1oc(-c2ccc(C(N)=O)cc2)nc1COc1cccc(C(C)(C)C(=O)N2c3ccccc3CC2C(=O)O)c1
• InChI: InChI=1S/C31H29N3O6/c1-18-24(33-28(40-18)20-13-11-19(12-14-20)27(32)35)17-39-23-9-6-8-22(16-23)31(2,3)30(38)34-25-10-5-4-7-21(25)15-26(34)29(36)37/h4-14,16,26H,15,17H2,1-3H3,(H2,32,35)(H,36,37)
• InChIKey: HXCUYKOERLYCQK-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 135.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.59
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid?

The IUPAC name of 1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid (CID 68677163) is 1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid.

What is the SMILES notation for 1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid?

The canonical SMILES for 1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid is Cc1oc(-c2ccc(C(N)=O)cc2)nc1COc1cccc(C(C)(C)C(=O)N2c3ccccc3CC2C(=O)O)c1.

What is the InChIKey of 1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid?

The InChIKey is HXCUYKOERLYCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O6/c1-18-24(33-28(40-18)20-13-11-19(12-14-20)27(32)35)17-39-23-9-6-8-22(16-23)31(2,3)30(38)34-25-10-5-4-7-21(25)15-26(34)29(36)37/h4-14,16,26H,15,17H2,1-3H3,(H2,32,35)(H,36,37).

What are the key properties of 1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid?

1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 539.59 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[[2-(4-carbamoylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 68677163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).