1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid

C26H35N5O4 — CID 54756351

About 1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid

1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid (PubChem CID 54756351) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid
• PubChem CID: 54756351
• Molecular Formula: C26H35N5O4
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.27
• IUPAC Name: 1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid
• SMILES: CCn1nc(-c2nc(-c3cc(C)c(CCN4CCC(C(=O)O)CC4)c(C)c3)no2)cc1OC(C)C
• InChI: InChI=1S/C26H35N5O4/c1-6-31-23(34-16(2)3)15-22(28-31)25-27-24(29-35-25)20-13-17(4)21(18(5)14-20)9-12-30-10-7-19(8-11-30)26(32)33/h13-16,19H,6-12H2,1-5H3,(H,32,33)
• InChIKey: OBNDITLEKRAYKV-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 106.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid?

The IUPAC name of 1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid (CID 54756351) is 1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid.

What is the SMILES notation for 1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid?

The canonical SMILES for 1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid is CCn1nc(-c2nc(-c3cc(C)c(CCN4CCC(C(=O)O)CC4)c(C)c3)no2)cc1OC(C)C.

What is the InChIKey of 1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid?

The InChIKey is OBNDITLEKRAYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-6-31-23(34-16(2)3)15-22(28-31)25-27-24(29-35-25)20-13-17(4)21(18(5)14-20)9-12-30-10-7-19(8-11-30)26(32)33/h13-16,19H,6-12H2,1-5H3,(H,32,33).

What are the key properties of 1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid?

1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid has a molecular weight of 481.60 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[5-(1-ethyl-5-propan-2-yloxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 54756351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).