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

C14H19N5O3 — CID 119070248

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

2-[5-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 119070248) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[5-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
• PubChem CID: 119070248
• Molecular Formula: C14H19N5O3
• Molecular Weight: 305.34 g/mol
• Exact Mass: 305.15
• IUPAC Name: 2-[5-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
• SMILES: Cc1nonc1CN1CCCC(c2ccnn2CC(=O)O)C1
• InChI: InChI=1S/C14H19N5O3/c1-10-12(17-22-16-10)8-18-6-2-3-11(7-18)13-4-5-15-19(13)9-14(20)21/h4-5,11H,2-3,6-9H2,1H3,(H,20,21)
• InChIKey: FVCUJUQRTPOKBQ-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 97.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.34
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[5-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 119070248) is 2-[5-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.

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

The canonical SMILES for 2-[5-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is Cc1nonc1CN1CCCC(c2ccnn2CC(=O)O)C1.

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

The InChIKey is FVCUJUQRTPOKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-10-12(17-22-16-10)8-18-6-2-3-11(7-18)13-4-5-15-19(13)9-14(20)21/h4-5,11H,2-3,6-9H2,1H3,(H,20,21).

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

2-[5-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 305.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119070248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).