5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid

C29H25ClN2O5 — CID 59335670

About 5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid

5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59335670) has the molecular formula C29H25ClN2O5 and a molecular weight of 516.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
• PubChem CID: 59335670
• Molecular Formula: C29H25ClN2O5
• Molecular Weight: 516.98 g/mol
• Exact Mass: 516.15
• IUPAC Name: 5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
• SMILES: Cc1nc(COc2ccc(CC(=O)NC3(C(=O)O)Cc4ccc(-c5ccc(Cl)cc5)cc4C3)cc2)co1
• InChI: InChI=1S/C29H25ClN2O5/c1-18-31-25(16-36-18)17-37-26-10-2-19(3-11-26)12-27(33)32-29(28(34)35)14-22-5-4-21(13-23(22)15-29)20-6-8-24(30)9-7-20/h2-11,13,16H,12,14-15,17H2,1H3,(H,32,33)(H,34,35)
• InChIKey: ZDQHJRLCLOMAMK-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 101.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.98
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?

The IUPAC name of 5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 59335670) is 5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.

What is the SMILES notation for 5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?

The canonical SMILES for 5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is Cc1nc(COc2ccc(CC(=O)NC3(C(=O)O)Cc4ccc(-c5ccc(Cl)cc5)cc4C3)cc2)co1.

What is the InChIKey of 5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?

The InChIKey is ZDQHJRLCLOMAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN2O5/c1-18-31-25(16-36-18)17-37-26-10-2-19(3-11-26)12-27(33)32-29(28(34)35)14-22-5-4-21(13-23(22)15-29)20-6-8-24(30)9-7-20/h2-11,13,16H,12,14-15,17H2,1H3,(H,32,33)(H,34,35).

What are the key properties of 5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?

5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 516.98 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59335670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).