1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone

C17H15NO2 — CID 563445

IUPAC1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
SMILESCC(=O)C1ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12(19)17-15(13-8-4-2-5-9-13)16(18-20-17)14-10-6-3-7-11-14/h2-11,15,17H,1H3
InChIKeyZDFGIOJGYSJVDO-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.16
Rot. Bonds3

About 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone

1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone (PubChem CID 563445) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
PubChem CID563445
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
SMILESCC(=O)C1ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12(19)17-15(13-8-4-2-5-9-13)16(18-20-17)14-10-6-3-7-11-14/h2-11,15,17H,1H3
InChIKeyZDFGIOJGYSJVDO-UHFFFAOYSA-N
XLogP3.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273
1-[(4S)-3-methyl-5-phenyl-4,5-dihydroisoxazol-4-yl]ethanone; 1-[(5R)-3-methyl-4-phenyl-4,5-dihydroisoxazol-5-yl]ethanone
CID 16075528
3-Phenyl-5-phenacyl-2-isoxazoline
CID 11842091
4(5H)-Isoxazolone, 5,5-dimethyl-3-phenyl-
CID 786761
3,4-diphenyl-5(4H)-isoxazolone
CID 12486396
5-(Fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole
CID 154714641
1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-one
CID 12708131
5-Formyl-3-phenylisoxazoline
CID 15122216
3,4-Diphenyl-2-isoxazoline-5-carboxylic acid
CID 129668265
3-Phenyl-1-oxa-2-azaspiro[4.5]dec-2-en-4-one
CID 828243

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone (CID 563445) is 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone is CC(=O)C1ON=C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone?
The InChIKey is ZDFGIOJGYSJVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(19)17-15(13-8-4-2-5-9-13)16(18-20-17)14-10-6-3-7-11-14/h2-11,15,17H,1H3.
What are the key properties of 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone?
1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone has a molecular weight of 265.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 563445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).