1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

C17H24N6O2 — CID 124988135

About 1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 124988135) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• PubChem CID: 124988135
• Molecular Formula: C17H24N6O2
• Molecular Weight: 344.42 g/mol
• Exact Mass: 344.20
• IUPAC Name: 1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• SMILES: CNc1cncc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1
• InChI: InChI=1S/C17H24N6O2/c1-11(2)17-22-21-15(25-17)6-7-16(24)23-8-4-5-13(23)12-9-19-10-14(18-3)20-12/h9-11,13H,4-8H2,1-3H3,(H,18,20)/t13-/m0/s1
• InChIKey: OKUZEEKKBQNJBP-ZDUSSCGKSA-N
• XLogP: 2.32
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.42
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The IUPAC name of 1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 124988135) is 1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

What is the SMILES notation for 1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The canonical SMILES for 1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is CNc1cncc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1.

What is the InChIKey of 1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The InChIKey is OKUZEEKKBQNJBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11(2)17-22-21-15(25-17)6-7-16(24)23-8-4-5-13(23)12-9-19-10-14(18-3)20-12/h9-11,13H,4-8H2,1-3H3,(H,18,20)/t13-/m0/s1.

What are the key properties of 1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 344.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 124988135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).