5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one

C13H15NO3 — CID 22728492

IUPAC5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one
SMILESCCOc1cn(C(C)c2ccccc2)c(=O)o1
InChIInChI=1S/C13H15NO3/c1-3-16-12-9-14(13(15)17-12)10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChIKeyFPAKPOGOOMFPFE-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.45
Rot. Bonds4

About 5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one

5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one (PubChem CID 22728492) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one
PubChem CID22728492
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one
SMILESCCOc1cn(C(C)c2ccccc2)c(=O)o1
InChIInChI=1S/C13H15NO3/c1-3-16-12-9-14(13(15)17-12)10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChIKeyFPAKPOGOOMFPFE-UHFFFAOYSA-N
XLogP2.45
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-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

5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one
CID 139818724
5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one
CID 102264527
ethyl 1-(1-phenylethyl)pyrrole-2-carboxylate
CID 75166606
5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione
CID 81335015
1-[3,4-difluoro-1-[(1R)-1-phenylethyl]pyrrol-2-yl]-2,2-diethoxy-2-methoxyethanone
CID 167321523
4-methyl-2-[(1S)-1-phenylethyl]isoquinolin-1-one
CID 102208891
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one
CID 11088032
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
5-ethoxy-1,2,3-tris(1-phenylethyl)benzene
CID 135291226
2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide
CID 172905946
pentan-3-yl 5-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325870

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one?
The IUPAC name of 5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one (CID 22728492) is 5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one.
What is the SMILES notation for 5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one?
The canonical SMILES for 5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one is CCOc1cn(C(C)c2ccccc2)c(=O)o1.
What is the InChIKey of 5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one?
The InChIKey is FPAKPOGOOMFPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-16-12-9-14(13(15)17-12)10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3.
What are the key properties of 5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one?
5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one has a molecular weight of 233.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one is sourced from PubChem (CID 22728492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).