2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid

C26H23Cl2N5O4 — CID 67265366

About 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid

2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid (PubChem CID 67265366) has the molecular formula C26H23Cl2N5O4 and a molecular weight of 540.41 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid
• PubChem CID: 67265366
• Molecular Formula: C26H23Cl2N5O4
• Molecular Weight: 540.41 g/mol
• Exact Mass: 539.11
• IUPAC Name: 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid
• SMILES: Cc1noc(C2CCN(C(=O)c3nn(-c4ccccc4Cl)c(-c4ccc(Cl)cc4)c3CC(=O)O)CC2)n1
• InChI: InChI=1S/C26H23Cl2N5O4/c1-15-29-25(37-31-15)17-10-12-32(13-11-17)26(36)23-19(14-22(34)35)24(16-6-8-18(27)9-7-16)33(30-23)21-5-3-2-4-20(21)28/h2-9,17H,10-14H2,1H3,(H,34,35)
• InChIKey: ABJUGMIYLSPBMO-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 114.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.41
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid?

The IUPAC name of 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid (CID 67265366) is 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid.

What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid?

The canonical SMILES for 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid is Cc1noc(C2CCN(C(=O)c3nn(-c4ccccc4Cl)c(-c4ccc(Cl)cc4)c3CC(=O)O)CC2)n1.

What is the InChIKey of 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid?

The InChIKey is ABJUGMIYLSPBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N5O4/c1-15-29-25(37-31-15)17-10-12-32(13-11-17)26(36)23-19(14-22(34)35)24(16-6-8-18(27)9-7-16)33(30-23)21-5-3-2-4-20(21)28/h2-9,17H,10-14H2,1H3,(H,34,35).

What are the key properties of 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid?

2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid has a molecular weight of 540.41 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 67265366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).