1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone

C18H23N5O3 — CID 92563176

About 1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone

1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone (PubChem CID 92563176) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone
• PubChem CID: 92563176
• Molecular Formula: C18H23N5O3
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.18
• IUPAC Name: 1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone
• SMILES: Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)C[C@@H]4CCCCO4)C3)o2)cn1
• InChI: InChI=1S/C18H23N5O3/c1-12-9-20-15(10-19-12)18-22-21-17(26-18)13-5-6-23(11-13)16(24)8-14-4-2-3-7-25-14/h9-10,13-14H,2-8,11H2,1H3/t13-,14+/m1/s1
• InChIKey: YMBQSCHABQMCIA-KGLIPLIRSA-N
• XLogP: 2.11
• TPSA: 94.24 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone?

The IUPAC name of 1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone (CID 92563176) is 1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone.

What is the SMILES notation for 1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone?

The canonical SMILES for 1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone is Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)C[C@@H]4CCCCO4)C3)o2)cn1.

What is the InChIKey of 1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone?

The InChIKey is YMBQSCHABQMCIA-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-9-20-15(10-19-12)18-22-21-17(26-18)13-5-6-23(11-13)16(24)8-14-4-2-3-7-25-14/h9-10,13-14H,2-8,11H2,1H3/t13-,14+/m1/s1.

What are the key properties of 1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone?

1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone has a molecular weight of 357.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone is sourced from PubChem (CID 92563176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).