1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C20H20N6O3 — CID 126948191

About 1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126948191) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• PubChem CID: 126948191
• Molecular Formula: C20H20N6O3
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.16
• IUPAC Name: 1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• SMILES: O=C(c1cc(-c2cccnc2)on1)N1CCC(n2cc(N3CCCC3=O)cn2)C1
• InChI: InChI=1S/C20H20N6O3/c27-19-4-2-7-25(19)16-11-22-26(13-16)15-5-8-24(12-15)20(28)17-9-18(29-23-17)14-3-1-6-21-10-14/h1,3,6,9-11,13,15H,2,4-5,7-8,12H2
• InChIKey: HCWPGXHPYSAFND-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 97.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The IUPAC name of 1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126948191) is 1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C(c1cc(-c2cccnc2)on1)N1CCC(n2cc(N3CCCC3=O)cn2)C1.

What is the InChIKey of 1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The InChIKey is HCWPGXHPYSAFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c27-19-4-2-7-25(19)16-11-22-26(13-16)15-5-8-24(12-15)20(28)17-9-18(29-23-17)14-3-1-6-21-10-14/h1,3,6,9-11,13,15H,2,4-5,7-8,12H2.

What are the key properties of 1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 392.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126948191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).