1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

C17H20N6O3 — CID 126945960

About 1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (PubChem CID 126945960) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
• PubChem CID: 126945960
• Molecular Formula: C17H20N6O3
• Molecular Weight: 356.39 g/mol
• Exact Mass: 356.16
• IUPAC Name: 1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
• SMILES: CN1CCN(c2cnn(C3CN(C(=O)c4cc(C5CC5)on4)C3)c2)C1=O
• InChI: InChI=1S/C17H20N6O3/c1-20-4-5-22(17(20)25)12-7-18-23(10-12)13-8-21(9-13)16(24)14-6-15(26-19-14)11-2-3-11/h6-7,10-11,13H,2-5,8-9H2,1H3
• InChIKey: RJKMXHBBELGGET-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 87.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.39
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (CID 126945960) is 1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.

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

The canonical SMILES for 1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is CN1CCN(c2cnn(C3CN(C(=O)c4cc(C5CC5)on4)C3)c2)C1=O.

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

The InChIKey is RJKMXHBBELGGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-20-4-5-22(17(20)25)12-7-18-23(10-12)13-8-21(9-13)16(24)14-6-15(26-19-14)11-2-3-11/h6-7,10-11,13H,2-5,8-9H2,1H3.

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

1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 356.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 126945960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).