1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C18H22N6O3 — CID 126945995

About 1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126945995) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
• PubChem CID: 126945995
• Molecular Formula: C18H22N6O3
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.18
• IUPAC Name: 1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
• SMILES: CN1CCN(c2cnn(C3CN(C(=O)c4onc5c4CCCC5)C3)c2)C1=O
• InChI: InChI=1S/C18H22N6O3/c1-21-6-7-23(18(21)26)12-8-19-24(11-12)13-9-22(10-13)17(25)16-14-4-2-3-5-15(14)20-27-16/h8,11,13H,2-7,9-10H2,1H3
• InChIKey: CLKZJUOMUZNXIE-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 87.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

The IUPAC name of 1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126945995) is 1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

What is the SMILES notation for 1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

The canonical SMILES for 1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is CN1CCN(c2cnn(C3CN(C(=O)c4onc5c4CCCC5)C3)c2)C1=O.

What is the InChIKey of 1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

The InChIKey is CLKZJUOMUZNXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-21-6-7-23(18(21)26)12-8-19-24(11-12)13-9-22(10-13)17(25)16-14-4-2-3-5-15(14)20-27-16/h8,11,13H,2-7,9-10H2,1H3.

What are the key properties of 1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 370.41 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126945995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).