2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine

C59H49BrN2O7 — CID 161149247

IUPAC2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine
SMILESCC(=O)OCC(=O)c1ccccc1-c1ccccc1.Nc1nc(-c2ccccc2-c2ccccc2)co1.O=C(CBr)c1ccccc1-c1ccccc1.O=C(CO)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H14O3.C15H12N2O.C14H11BrO.C14H12O2/c1-12(17)19-11-16(18)15-10-6-5-9-14(15)13-7-3-2-4-8-13;16-15-17-14(10-18-15)13-9-5-4-8-12(13)11-6-2-1-3-7-11;2*15-10-14(16)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h2-10H,11H2,1H3;1-10H,(H2,16,17);1-9H,10H2;1-9,15H,10H2
InChIKeyUOLKNBLJKUBGKG-UHFFFAOYSA-N
MW977.95 g/mol
LogP13.15
Rot. Bonds12

About 2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine

2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine (PubChem CID 161149247) has the molecular formula C59H49BrN2O7 and a molecular weight of 977.95 g/mol. Its IUPAC name is 2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine
PubChem CID161149247
Molecular FormulaC59H49BrN2O7
Molecular Weight977.95 g/mol
Exact Mass976.27
IUPAC Name2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine
SMILESCC(=O)OCC(=O)c1ccccc1-c1ccccc1.Nc1nc(-c2ccccc2-c2ccccc2)co1.O=C(CBr)c1ccccc1-c1ccccc1.O=C(CO)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H14O3.C15H12N2O.C14H11BrO.C14H12O2/c1-12(17)19-11-16(18)15-10-6-5-9-14(15)13-7-3-2-4-8-13;16-15-17-14(10-18-15)13-9-5-4-8-12(13)11-6-2-1-3-7-11;2*15-10-14(16)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h2-10H,11H2,1H3;1-10H,(H2,16,17);1-9H,10H2;1-9,15H,10H2
InChIKeyUOLKNBLJKUBGKG-UHFFFAOYSA-N
XLogP13.15
TPSA149.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.95
LogP ≤ 513.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine (CID 161149247) is 2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine is CC(=O)OCC(=O)c1ccccc1-c1ccccc1.Nc1nc(-c2ccccc2-c2ccccc2)co1.O=C(CBr)c1ccccc1-c1ccccc1.O=C(CO)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine?
The InChIKey is UOLKNBLJKUBGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3.C15H12N2O.C14H11BrO.C14H12O2/c1-12(17)19-11-16(18)15-10-6-5-9-14(15)13-7-3-2-4-8-13;16-15-17-14(10-18-15)13-9-5-4-8-12(13)11-6-2-1-3-7-11;2*15-10-14(16)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h2-10H,11H2,1H3;1-10H,(H2,16,17);1-9H,10H2;1-9,15H,10H2.
What are the key properties of 2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine?
2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine has a molecular weight of 977.95 g/mol, XLogP of 13.15, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-phenylphenyl)ethanone;2-hydroxy-1-(2-phenylphenyl)ethanone;[2-oxo-2-(2-phenylphenyl)ethyl] acetate;4-(2-phenylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 161149247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).