4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one

C17H20N2O4 — CID 10171914

IUPAC4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
SMILESCCC1(CC)COC(=O)N1C(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C17H20N2O4/c1-3-17(4-2)11-22-16(21)19(17)15(20)14-10-13(18-23-14)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyZHASABZRIOXQPP-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.72
Rot. Bonds4

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

4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 10171914) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
PubChem CID10171914
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
SMILESCCC1(CC)COC(=O)N1C(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C17H20N2O4/c1-3-17(4-2)11-22-16(21)19(17)15(20)14-10-13(18-23-14)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyZHASABZRIOXQPP-UHFFFAOYSA-N
XLogP2.72
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Ethyl 4-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate
CID 5308699
Ethyl 4-{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-1-piperazinecarboxylate
CID 17095819
3-(2-Fluorophenyl)-5-(pyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole
CID 53003043
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 6619749
3-[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 10149601
3-[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10171601
4,4-Diethyl-3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10236800
(4S)-4-benzyl-3-[(5S)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 15537175
(4S)-4-benzyl-3-[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 139911581
(4S)-4-benzyl-3-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 139911622
3-[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-diphenyl-1,3-oxazolidin-2-one
CID 139947551
4,4-Dibenzyl-3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 139947558

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one (CID 10171914) is 4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one is CCC1(CC)COC(=O)N1C(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of 4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is ZHASABZRIOXQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-17(4-2)11-22-16(21)19(17)15(20)14-10-13(18-23-14)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3.
What are the key properties of 4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one?
4,4-diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 316.36 g/mol, XLogP of 2.72, 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-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10171914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).