5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C13H18N6O2 — CID 129336714

About 5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129336714) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 129336714
• Molecular Formula: C13H18N6O2
• Molecular Weight: 290.33 g/mol
• Exact Mass: 290.15
• IUPAC Name: 5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: CCn1nccc1CN1CCC[C@@H]1c1nc(C(N)=O)no1
• InChI: InChI=1S/C13H18N6O2/c1-2-19-9(5-6-15-19)8-18-7-3-4-10(18)13-16-12(11(14)20)17-21-13/h5-6,10H,2-4,7-8H2,1H3,(H2,14,20)/t10-/m1/s1
• InChIKey: KROYFNWBYPMKAP-SNVBAGLBSA-N
• XLogP: 0.72
• TPSA: 103.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.33
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129336714) is 5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is CCn1nccc1CN1CCC[C@@H]1c1nc(C(N)=O)no1.

What is the InChIKey of 5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is KROYFNWBYPMKAP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-2-19-9(5-6-15-19)8-18-7-3-4-10(18)13-16-12(11(14)20)17-21-13/h5-6,10H,2-4,7-8H2,1H3,(H2,14,20)/t10-/m1/s1.

What are the key properties of 5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129336714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).