2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid

C15H19N5O4 — CID 119069928

About 2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 119069928) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
• PubChem CID: 119069928
• Molecular Formula: C15H19N5O4
• Molecular Weight: 333.35 g/mol
• Exact Mass: 333.14
• IUPAC Name: 2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
• SMILES: Cc1nonc1CC(=O)N1CCCC(c2ccn(CC(=O)O)n2)C1
• InChI: InChI=1S/C15H19N5O4/c1-10-13(18-24-17-10)7-14(21)19-5-2-3-11(8-19)12-4-6-20(16-12)9-15(22)23/h4,6,11H,2-3,5,7-9H2,1H3,(H,22,23)
• InChIKey: QBOMFUTUTOAIQT-UHFFFAOYSA-N
• XLogP: 0.61
• TPSA: 114.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.35
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 119069928) is 2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.

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

The canonical SMILES for 2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is Cc1nonc1CC(=O)N1CCCC(c2ccn(CC(=O)O)n2)C1.

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

The InChIKey is QBOMFUTUTOAIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-10-13(18-24-17-10)7-14(21)19-5-2-3-11(8-19)12-4-6-20(16-12)9-15(22)23/h4,6,11H,2-3,5,7-9H2,1H3,(H,22,23).

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

2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 333.35 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119069928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).