1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C13H16N6O2 — CID 126945532

About 1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945532) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• PubChem CID: 126945532
• Molecular Formula: C13H16N6O2
• Molecular Weight: 288.31 g/mol
• Exact Mass: 288.13
• IUPAC Name: 1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• SMILES: Cc1noc(N2CC(n3cc(N4CCCC4=O)cn3)C2)n1
• InChI: InChI=1S/C13H16N6O2/c1-9-15-13(21-16-9)17-6-11(7-17)19-8-10(5-14-19)18-4-2-3-12(18)20/h5,8,11H,2-4,6-7H2,1H3
• InChIKey: YGBJTZNYJDYDNT-UHFFFAOYSA-N
• XLogP: 0.76
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.31
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The IUPAC name of 1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945532) is 1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is Cc1noc(N2CC(n3cc(N4CCCC4=O)cn3)C2)n1.

What is the InChIKey of 1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The InChIKey is YGBJTZNYJDYDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-9-15-13(21-16-9)17-6-11(7-17)19-8-10(5-14-19)18-4-2-3-12(18)20/h5,8,11H,2-4,6-7H2,1H3.

What are the key properties of 1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 288.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).