5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one

C18H16N4O5 — CID 97201209

About 5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one

5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one (PubChem CID 97201209) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one.

Molecular Properties

• Compound Name: 5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one
• PubChem CID: 97201209
• Molecular Formula: C18H16N4O5
• Molecular Weight: 368.35 g/mol
• Exact Mass: 368.11
• IUPAC Name: 5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one
• SMILES: COc1coc(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)no2)cc1=O
• InChI: InChI=1S/C18H16N4O5/c1-25-15-10-26-14(9-13(15)23)18(24)22-8-4-6-12(22)17-20-16(21-27-17)11-5-2-3-7-19-11/h2-3,5,7,9-10,12H,4,6,8H2,1H3/t12-/m0/s1
• InChIKey: PEBRNGLLCNWLBK-LBPRGKRZSA-N
• XLogP: 2.07
• TPSA: 111.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.35
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one?

The IUPAC name of 5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one (CID 97201209) is 5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one.

What is the SMILES notation for 5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one?

The canonical SMILES for 5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one is COc1coc(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)no2)cc1=O.

What is the InChIKey of 5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one?

The InChIKey is PEBRNGLLCNWLBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-25-15-10-26-14(9-13(15)23)18(24)22-8-4-6-12(22)17-20-16(21-27-17)11-5-2-3-7-19-11/h2-3,5,7,9-10,12H,4,6,8H2,1H3/t12-/m0/s1.

What are the key properties of 5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one?

5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one has a molecular weight of 368.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one is sourced from PubChem (CID 97201209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).