2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone

C19H21NO4 — CID 110746609

IUPAC2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCOC2c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO4/c1-22-16-9-8-14(12-17(16)23-2)13-18(21)20-10-11-24-19(20)15-6-4-3-5-7-15/h3-9,12,19H,10-11,13H2,1-2H3
InChIKeyONGDCFOBHYJTOL-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.80
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone

2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 110746609) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID110746609
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCOC2c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO4/c1-22-16-9-8-14(12-17(16)23-2)13-18(21)20-10-11-24-19(20)15-6-4-3-5-7-15/h3-9,12,19H,10-11,13H2,1-2H3
InChIKeyONGDCFOBHYJTOL-UHFFFAOYSA-N
XLogP2.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 94487317
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 120810489
(2,6-dimethoxyphenyl)-(2-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740320
1-[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 134697404
2-(3,4-dimethoxyphenyl)-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 4048681
2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894900
1-[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-hydroxyphenyl)ethanone
CID 134699130
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101
2-(3,4-dimethoxyphenyl)-1-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110750150
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627664
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone (CID 110746609) is 2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone is COc1ccc(CC(=O)N2CCOC2c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is ONGDCFOBHYJTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-16-9-8-14(12-17(16)23-2)13-18(21)20-10-11-24-19(20)15-6-4-3-5-7-15/h3-9,12,19H,10-11,13H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 327.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 110746609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).