5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C13H17N7O2 — CID 129339448

About 5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129339448) has the molecular formula C13H17N7O2 and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 129339448
• Molecular Formula: C13H17N7O2
• Molecular Weight: 303.33 g/mol
• Exact Mass: 303.14
• IUPAC Name: 5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: NC(=O)c1noc([C@@H]2CCCN2Cc2nc(C3CC3)n[nH]2)n1
• InChI: InChI=1S/C13H17N7O2/c14-10(21)12-16-13(22-19-12)8-2-1-5-20(8)6-9-15-11(18-17-9)7-3-4-7/h7-8H,1-6H2,(H2,14,21)(H,15,17,18)/t8-/m0/s1
• InChIKey: OQFFQOHAZLSSHT-QMMMGPOBSA-N
• XLogP: 0.50
• TPSA: 126.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.33
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129339448) is 5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc([C@@H]2CCCN2Cc2nc(C3CC3)n[nH]2)n1.

What is the InChIKey of 5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is OQFFQOHAZLSSHT-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17N7O2/c14-10(21)12-16-13(22-19-12)8-2-1-5-20(8)6-9-15-11(18-17-9)7-3-4-7/h7-8H,1-6H2,(H2,14,21)(H,15,17,18)/t8-/m0/s1.

What are the key properties of 5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129339448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).