4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid

C23H26N6O7 — CID 154998544

About 4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid

4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid (PubChem CID 154998544) has the molecular formula C23H26N6O7 and a molecular weight of 498.50 g/mol. Its IUPAC name is 4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid
• PubChem CID: 154998544
• Molecular Formula: C23H26N6O7
• Molecular Weight: 498.50 g/mol
• Exact Mass: 498.19
• IUPAC Name: 4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid
• SMILES: CC1(C(=O)N2CCN(C(=O)Nc3ccn(-c4ccc(CC=O)cc4)c(=O)n3)CC2)COCN1C(=O)O
• InChI: InChI=1S/C23H26N6O7/c1-23(14-36-15-29(23)22(34)35)19(31)26-9-11-27(12-10-26)20(32)24-18-6-8-28(21(33)25-18)17-4-2-16(3-5-17)7-13-30/h2-6,8,13H,7,9-12,14-15H2,1H3,(H,34,35)(H,24,25,32,33)
• InChIKey: FVRPFXJYNCBTQH-UHFFFAOYSA-N
• XLogP: 0.38
• TPSA: 154.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.50
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid?

The IUPAC name of 4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid (CID 154998544) is 4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid.

What is the SMILES notation for 4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid?

The canonical SMILES for 4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid is CC1(C(=O)N2CCN(C(=O)Nc3ccn(-c4ccc(CC=O)cc4)c(=O)n3)CC2)COCN1C(=O)O.

What is the InChIKey of 4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid?

The InChIKey is FVRPFXJYNCBTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O7/c1-23(14-36-15-29(23)22(34)35)19(31)26-9-11-27(12-10-26)20(32)24-18-6-8-28(21(33)25-18)17-4-2-16(3-5-17)7-13-30/h2-6,8,13H,7,9-12,14-15H2,1H3,(H,34,35)(H,24,25,32,33).

What are the key properties of 4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid?

4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 498.50 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-4-[4-[[2-oxo-1-[4-(2-oxoethyl)phenyl]pyrimidin-4-yl]carbamoyl]piperazine-1-carbonyl]-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 154998544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).