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

C17H15NO2 — CID 11842091

IUPAC1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
SMILESO=C(CC1CC(c2ccccc2)=NO1)c1ccccc1
InChIInChI=1S/C17H15NO2/c19-17(14-9-5-2-6-10-14)12-15-11-16(18-20-15)13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChIKeyRGUZKBBCQJNISD-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.45
Rot. Bonds4

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

1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone (PubChem CID 11842091) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
PubChem CID11842091
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
SMILESO=C(CC1CC(c2ccccc2)=NO1)c1ccccc1
InChIInChI=1S/C17H15NO2/c19-17(14-9-5-2-6-10-14)12-15-11-16(18-20-15)13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChIKeyRGUZKBBCQJNISD-UHFFFAOYSA-N
XLogP3.45
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone (CID 11842091) is 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone is O=C(CC1CC(c2ccccc2)=NO1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone?
The InChIKey is RGUZKBBCQJNISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(14-9-5-2-6-10-14)12-15-11-16(18-20-15)13-7-3-1-4-8-13/h1-10,15H,11-12H2.
What are the key properties of 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone?
1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone has a molecular weight of 265.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 11842091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).