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

C16H13NO2 — CID 14642167

IUPACphenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone
SMILESO=C(c1ccccc1)C1CON=C1c1ccccc1
InChIInChI=1S/C16H13NO2/c18-16(13-9-5-2-6-10-13)14-11-19-17-15(14)12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyQUHUINPHAFCPBW-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.92
Rot. Bonds3

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

phenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone (PubChem CID 14642167) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is phenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone
PubChem CID14642167
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Namephenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone
SMILESO=C(c1ccccc1)C1CON=C1c1ccccc1
InChIInChI=1S/C16H13NO2/c18-16(13-9-5-2-6-10-13)14-11-19-17-15(14)12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyQUHUINPHAFCPBW-UHFFFAOYSA-N
XLogP2.92
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Benzil (Z)-monoxime
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1,2-Diphenyl-1,2-ethanedione 1-(O-(ethoxycarbonyl)oxime)
CID 2738122
4-(4-Fluorobenzoyl)-3-phenyl-1,2-oxazol-5(4H)-one
CID 15241761
Acetophenone, 2'-(3,5-diphenyl-2-isoxazolin-5-yl)-
CID 613689
3-Phenyl-5-phenacyl-2-isoxazoline
CID 11842091
beta-Benzilmonoxime
CID 6419297
3-Phenyl-4-benzoyl-5-isoxazolone
CID 3656450
Xeppcvkkxlbyar-uhfffaoysa-
CID 13334008
Diphenylethanedione (O-(ethoxycarbonyl)oxime)
CID 5921498
(2E)-2-methoxyimino-1,2-diphenylethanone
CID 5381880
4-(2-fluorobenzoyl)-3-methyl-4H-1,2-oxazol-5-one
CID 139215872

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone?
The IUPAC name of phenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone (CID 14642167) is phenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for phenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone?
The canonical SMILES for phenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone is O=C(c1ccccc1)C1CON=C1c1ccccc1.
What is the InChIKey of phenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone?
The InChIKey is QUHUINPHAFCPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16(13-9-5-2-6-10-13)14-11-19-17-15(14)12-7-3-1-4-8-12/h1-10,14H,11H2.
What are the key properties of phenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone?
phenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone has a molecular weight of 251.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 14642167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).