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

C15H16N2O4 — CID 10236402

IUPAC4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H16N2O4/c1-15(2)9-20-14(19)17(15)13(18)12-8-11(16-21-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKeyOPXLCHZEYUUGLC-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.94
Rot. Bonds2

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

4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 10236402) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
PubChem CID10236402
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H16N2O4/c1-15(2)9-20-14(19)17(15)13(18)12-8-11(16-21-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKeyOPXLCHZEYUUGLC-UHFFFAOYSA-N
XLogP1.94
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-3-(3-phenyl-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

Related Compounds

N-tert-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095769
N,N-diethyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095773
N-tert-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095814
N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 17095818
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
3-[(5E)-5-(4-fluorophenyl)-5-methoxyiminopentanoyl]-1,3-oxazolidin-2-one
CID 89023698
(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

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one (CID 10236402) is 4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1C(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of 4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is OPXLCHZEYUUGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-15(2)9-20-14(19)17(15)13(18)12-8-11(16-21-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one?
4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 288.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10236402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).