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

C13H17N5O2 — CID 129330570

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

5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129330570) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 129330570
• Molecular Formula: C13H17N5O2
• Molecular Weight: 275.31 g/mol
• Exact Mass: 275.14
• IUPAC Name: 5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: Cn1cccc1CN1CCC[C@@H]1c1nc(C(N)=O)no1
• InChI: InChI=1S/C13H17N5O2/c1-17-6-2-4-9(17)8-18-7-3-5-10(18)13-15-12(11(14)19)16-20-13/h2,4,6,10H,3,5,7-8H2,1H3,(H2,14,19)/t10-/m1/s1
• InChIKey: AVDWYCRSCJUAIF-SNVBAGLBSA-N
• XLogP: 0.84
• TPSA: 90.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.31
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129330570) is 5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

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

The canonical SMILES for 5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is Cn1cccc1CN1CCC[C@@H]1c1nc(C(N)=O)no1.

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

The InChIKey is AVDWYCRSCJUAIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-17-6-2-4-9(17)8-18-7-3-5-10(18)13-15-12(11(14)19)16-20-13/h2,4,6,10H,3,5,7-8H2,1H3,(H2,14,19)/t10-/m1/s1.

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

5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129330570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).