3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C18H23N7O3 — CID 122337549

About 3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 122337549) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
• PubChem CID: 122337549
• Molecular Formula: C18H23N7O3
• Molecular Weight: 385.43 g/mol
• Exact Mass: 385.19
• IUPAC Name: 3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
• SMILES: Cc1cc(C)n(-c2cc(N3CCN(C(=O)CN4CCOC4=O)CC3)ncn2)n1
• InChI: InChI=1S/C18H23N7O3/c1-13-9-14(2)25(21-13)16-10-15(19-12-20-16)22-3-5-23(6-4-22)17(26)11-24-7-8-28-18(24)27/h9-10,12H,3-8,11H2,1-2H3
• InChIKey: YXWCMJBXTJVTHR-UHFFFAOYSA-N
• XLogP: 0.38
• TPSA: 96.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.43
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 122337549) is 3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is Cc1cc(C)n(-c2cc(N3CCN(C(=O)CN4CCOC4=O)CC3)ncn2)n1.

What is the InChIKey of 3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The InChIKey is YXWCMJBXTJVTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-13-9-14(2)25(21-13)16-10-15(19-12-20-16)22-3-5-23(6-4-22)17(26)11-24-7-8-28-18(24)27/h9-10,12H,3-8,11H2,1-2H3.

What are the key properties of 3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 385.43 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 122337549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).