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

C14H18N6O3 — CID 126945531

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

1-[1-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945531) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-[1-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• PubChem CID: 126945531
• Molecular Formula: C14H18N6O3
• Molecular Weight: 318.34 g/mol
• Exact Mass: 318.14
• IUPAC Name: 1-[1-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• SMILES: COCc1noc(N2CC(n3cc(N4CCCC4=O)cn3)C2)n1
• InChI: InChI=1S/C14H18N6O3/c1-22-9-12-16-14(23-17-12)18-6-11(7-18)20-8-10(5-15-20)19-4-2-3-13(19)21/h5,8,11H,2-4,6-7,9H2,1H3
• InChIKey: RXCYSZJNEKQKGA-UHFFFAOYSA-N
• XLogP: 0.60
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.34
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[1-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945531) is 1-[1-[1-[3-(methoxymethyl)-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-(methoxymethyl)-1,2,4-oxadiazol-5-yl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[1-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is COCc1noc(N2CC(n3cc(N4CCCC4=O)cn3)C2)n1.

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

The InChIKey is RXCYSZJNEKQKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-22-9-12-16-14(23-17-12)18-6-11(7-18)20-8-10(5-15-20)19-4-2-3-13(19)21/h5,8,11H,2-4,6-7,9H2,1H3.

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

1-[1-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 318.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).