4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one

C18H22N2O4 — CID 10172056

About 4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one

4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 10172056) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
• PubChem CID: 10172056
• Molecular Formula: C18H22N2O4
• Molecular Weight: 330.38 g/mol
• Exact Mass: 330.16
• IUPAC Name: 4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
• SMILES: CCC1(CC)COC(=O)N1C(=O)C1CC(c2ccc(C)cc2)=NO1
• InChI: InChI=1S/C18H22N2O4/c1-4-18(5-2)11-23-17(22)20(18)16(21)15-10-14(19-24-15)13-8-6-12(3)7-9-13/h6-9,15H,4-5,10-11H2,1-3H3
• InChIKey: VNQVZEDJXTYULM-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 68.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.38
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?

The IUPAC name of 4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (CID 10172056) is 4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is CCC1(CC)COC(=O)N1C(=O)C1CC(c2ccc(C)cc2)=NO1.

What is the InChIKey of 4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?

The InChIKey is VNQVZEDJXTYULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-18(5-2)11-23-17(22)20(18)16(21)15-10-14(19-24-15)13-8-6-12(3)7-9-13/h6-9,15H,4-5,10-11H2,1-3H3.

What are the key properties of 4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?

4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 330.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10172056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).