4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one

C20H26N2O4 — CID 10309062

IUPAC4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
SMILESCCC1(CC)COC(=O)N1C(=O)C1CC(c2c(C)cc(C)cc2C)=NO1
InChIInChI=1S/C20H26N2O4/c1-6-20(7-2)11-25-19(24)22(20)18(23)16-10-15(21-26-16)17-13(4)8-12(3)9-14(17)5/h8-9,16H,6-7,10-11H2,1-5H3
InChIKeyFUEHUNGWXVCTAO-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.64
Rot. Bonds4

About 4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one

4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 10309062) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
PubChem CID10309062
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
SMILESCCC1(CC)COC(=O)N1C(=O)C1CC(c2c(C)cc(C)cc2C)=NO1
InChIInChI=1S/C20H26N2O4/c1-6-20(7-2)11-25-19(24)22(20)18(23)16-10-15(21-26-16)17-13(4)8-12(3)9-14(17)5/h8-9,16H,6-7,10-11H2,1-5H3
InChIKeyFUEHUNGWXVCTAO-UHFFFAOYSA-N
XLogP3.64
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (CID 10309062) is 4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is CCC1(CC)COC(=O)N1C(=O)C1CC(c2c(C)cc(C)cc2C)=NO1.
What is the InChIKey of 4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is FUEHUNGWXVCTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-6-20(7-2)11-25-19(24)22(20)18(23)16-10-15(21-26-16)17-13(4)8-12(3)9-14(17)5/h8-9,16H,6-7,10-11H2,1-5H3.
What are the key properties of 4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
4,4-diethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 358.44 g/mol, XLogP of 3.64, 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-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10309062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).