(4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone

C16H20N6O2 — CID 121168831

About (4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone

(4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone (PubChem CID 121168831) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone.

Molecular Properties

• Compound Name: (4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone
• PubChem CID: 121168831
• Molecular Formula: C16H20N6O2
• Molecular Weight: 328.38 g/mol
• Exact Mass: 328.16
• IUPAC Name: (4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone
• SMILES: CC1(C)COCN1C(=O)C1CN(c2cc(-n3cccn3)ncn2)C1
• InChI: InChI=1S/C16H20N6O2/c1-16(2)9-24-11-21(16)15(23)12-7-20(8-12)13-6-14(18-10-17-13)22-5-3-4-19-22/h3-6,10,12H,7-9,11H2,1-2H3
• InChIKey: RQRZSIBHFRRNEI-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 76.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.38
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone?

The IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone (CID 121168831) is (4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone.

What is the SMILES notation for (4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone?

The canonical SMILES for (4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone is CC1(C)COCN1C(=O)C1CN(c2cc(-n3cccn3)ncn2)C1.

What is the InChIKey of (4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone?

The InChIKey is RQRZSIBHFRRNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-16(2)9-24-11-21(16)15(23)12-7-20(8-12)13-6-14(18-10-17-13)22-5-3-4-19-22/h3-6,10,12H,7-9,11H2,1-2H3.

What are the key properties of (4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone?

(4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone has a molecular weight of 328.38 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone is sourced from PubChem (CID 121168831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).