N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C16H26N4O4 — CID 129330198

About N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129330198) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 129330198
• Molecular Formula: C16H26N4O4
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.20
• IUPAC Name: N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: CC(C)OC[C@@H](O)CN1CCC[C@H]1c1nc(C(=O)NC2CC2)no1
• InChI: InChI=1S/C16H26N4O4/c1-10(2)23-9-12(21)8-20-7-3-4-13(20)16-18-14(19-24-16)15(22)17-11-5-6-11/h10-13,21H,3-9H2,1-2H3,(H,17,22)/t12-,13-/m0/s1
• InChIKey: AIUTWKOHYVPFGL-STQMWFEESA-N
• XLogP: 0.88
• TPSA: 100.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129330198) is N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is CC(C)OC[C@@H](O)CN1CCC[C@H]1c1nc(C(=O)NC2CC2)no1.

What is the InChIKey of N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is AIUTWKOHYVPFGL-STQMWFEESA-N. The full InChI is InChI=1S/C16H26N4O4/c1-10(2)23-9-12(21)8-20-7-3-4-13(20)16-18-14(19-24-16)15(22)17-11-5-6-11/h10-13,21H,3-9H2,1-2H3,(H,17,22)/t12-,13-/m0/s1.

What are the key properties of N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[(2S)-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129330198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).