ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone

C13H15NO2 — CID 145281683

IUPACethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
SMILESCC.CC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C11H9NO2.C2H6/c1-8(13)10-7-11(14-12-10)9-5-3-2-4-6-9;1-2/h2-7H,1H3;1-2H3
InChIKeyYXYKCYCYEISNCJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.57
Rot. Bonds2

About ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone

ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone (PubChem CID 145281683) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
PubChem CID145281683
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
SMILESCC.CC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C11H9NO2.C2H6/c1-8(13)10-7-11(14-12-10)9-5-3-2-4-6-9;1-2/h2-7H,1H3;1-2H3
InChIKeyYXYKCYCYEISNCJ-UHFFFAOYSA-N
XLogP3.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-1,2-oxazole-3-carbothioic S-acid
CID 144767525
N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine
CID 137224922
1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
CID 178176313
N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262518
5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide
CID 138454533
ethane;5-phenyl-1,2-oxazole-3-carbaldehyde
CID 144767511
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829
(4-fluorophenyl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 10858449
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
(1S)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanol;1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanone
CID 158318961
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328

Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone (CID 145281683) is ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone is CC.CC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is YXYKCYCYEISNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2.C2H6/c1-8(13)10-7-11(14-12-10)9-5-3-2-4-6-9;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone?
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 217.27 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 145281683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).