5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C16H24N6O2 — CID 96514045

About 5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 96514045) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
• PubChem CID: 96514045
• Molecular Formula: C16H24N6O2
• Molecular Weight: 332.41 g/mol
• Exact Mass: 332.20
• IUPAC Name: 5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
• SMILES: CC(C)(C)c1noc(CN2CCC[C@@H](c3cc(C(N)=O)n[nH]3)C2)n1
• InChI: InChI=1S/C16H24N6O2/c1-16(2,3)15-18-13(24-21-15)9-22-6-4-5-10(8-22)11-7-12(14(17)23)20-19-11/h7,10H,4-6,8-9H2,1-3H3,(H2,17,23)(H,19,20)/t10-/m1/s1
• InChIKey: NCUGGLHYNXTWDH-SNVBAGLBSA-N
• XLogP: 1.57
• TPSA: 113.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.41
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 96514045) is 5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is CC(C)(C)c1noc(CN2CCC[C@@H](c3cc(C(N)=O)n[nH]3)C2)n1.

What is the InChIKey of 5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?

The InChIKey is NCUGGLHYNXTWDH-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-16(2,3)15-18-13(24-21-15)9-22-6-4-5-10(8-22)11-7-12(14(17)23)20-19-11/h7,10H,4-6,8-9H2,1-3H3,(H2,17,23)(H,19,20)/t10-/m1/s1.

What are the key properties of 5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?

5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 96514045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).