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

C15H21N5O3 — CID 126448943

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

2-[3-[(3R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 126448943) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[3-[(3R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[(3R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
• PubChem CID: 126448943
• Molecular Formula: C15H21N5O3
• Molecular Weight: 319.37 g/mol
• Exact Mass: 319.16
• IUPAC Name: 2-[3-[(3R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
• SMILES: CCc1noc(CN2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)n1
• InChI: InChI=1S/C15H21N5O3/c1-2-13-16-14(23-18-13)9-19-6-3-4-11(8-19)12-5-7-20(17-12)10-15(21)22/h5,7,11H,2-4,6,8-10H2,1H3,(H,21,22)/t11-/m1/s1
• InChIKey: RXJLBVBGXTUAOB-LLVKDONJSA-N
• XLogP: 1.29
• TPSA: 97.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.37
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(3R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 126448943) is 2-[3-[(3R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.

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

The canonical SMILES for 2-[3-[(3R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is CCc1noc(CN2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)n1.

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

The InChIKey is RXJLBVBGXTUAOB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-2-13-16-14(23-18-13)9-19-6-3-4-11(8-19)12-5-7-20(17-12)10-15(21)22/h5,7,11H,2-4,6,8-10H2,1H3,(H,21,22)/t11-/m1/s1.

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

2-[3-[(3R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 319.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 126448943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).