phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone

C15H11NO3 — CID 15075341

IUPACphenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone
SMILESO=C(c1ccccc1)C1N=C(c2ccccc2)OO1
InChIInChI=1S/C15H11NO3/c17-13(11-7-3-1-4-8-11)15-16-14(18-19-15)12-9-5-2-6-10-12/h1-10,15H
InChIKeyBJFIGDZFACELND-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.60
Rot. Bonds3

About phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone

phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone (PubChem CID 15075341) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone.

Molecular Properties

Compound Namephenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone
PubChem CID15075341
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Namephenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone
SMILESO=C(c1ccccc1)C1N=C(c2ccccc2)OO1
InChIInChI=1S/C15H11NO3/c17-13(11-7-3-1-4-8-11)15-16-14(18-19-15)12-9-5-2-6-10-12/h1-10,15H
InChIKeyBJFIGDZFACELND-UHFFFAOYSA-N
XLogP2.60
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2-Fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone
CID 69034844
(2E)-1-phenyl-2-phenylmethoxyiminoethanone
CID 12745727
Phenyl-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methanone
CID 177857015
(4-Methylphenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methanone
CID 177857024
(3-Methyl-5-phenyl-1,2,4-dioxazol-3-yl)-phenylmethanone
CID 15075340
Phenyl-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone
CID 67120534
methyl N-benzyl-2-oxo-2-phenylethanimidate
CID 141270331
1-Phenyl-2-(3-phenylmethoxypropylideneamino)ethanone
CID 158941180
(2-Benzoyl-4,5-dihydro-1,3-oxazol-4-yl)-phenylmethanone
CID 175286679
3-benzoyl-N-methylbenzenecarboximidate
CID 57791576
4-Benzoyl-2-phenyl-4H-1,3-oxazin-5(6H)-one
CID 71318226
N-(1-Oxo-1-phenylpropan-2-yl)benzenecarboximidate
CID 71360103

Frequently Asked Questions

What is the IUPAC name of phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone?
The IUPAC name of phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone (CID 15075341) is phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone.
What is the SMILES notation for phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone?
The canonical SMILES for phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone is O=C(c1ccccc1)C1N=C(c2ccccc2)OO1.
What is the InChIKey of phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone?
The InChIKey is BJFIGDZFACELND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-13(11-7-3-1-4-8-11)15-16-14(18-19-15)12-9-5-2-6-10-12/h1-10,15H.
What are the key properties of phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone?
phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone has a molecular weight of 253.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-phenyl-3H-1,2,4-dioxazol-3-yl)methanone is sourced from PubChem (CID 15075341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).