4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole

C16H14BrNO — CID 12637259

IUPAC4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole
SMILESCC1=NOC(c2ccccc2)(c2ccccc2)C1Br
InChIInChI=1S/C16H14BrNO/c1-12-15(17)16(19-18-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3
InChIKeyKLZQOKWXLMCRLJ-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.10
Rot. Bonds2

About 4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole

4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole (PubChem CID 12637259) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole
PubChem CID12637259
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole
SMILESCC1=NOC(c2ccccc2)(c2ccccc2)C1Br
InChIInChI=1S/C16H14BrNO/c1-12-15(17)16(19-18-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3
InChIKeyKLZQOKWXLMCRLJ-UHFFFAOYSA-N
XLogP4.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-2,2-diphenyloxetane
CID 14290990
3-benzyl-2,2-diphenyloxirane
CID 134205006
[(E)-2-(3,3-diphenyloxiran-2-yl)ethenyl]-trimethylsilane
CID 11833308
(4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole
CID 101126246
(2,2-dibromo-1,3-dimethylcyclopropyl)benzene
CID 14471431
(4R)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 174626798
4-benzyl-2-[2-(4-benzyl-5,5-diphenyl-4H-1,3-oxazol-2-yl)propan-2-yl]-5,5-diphenyl-4H-1,3-oxazole
CID 134338244
4,5-dimethyl-4-phenyl-2,3-dihydropyrrole
CID 15638958
2,4,4,5-tetraphenyl-1,3,2-dioxaphospholane
CID 174790779
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
(2S,3S)-3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-2-phenyloxirane
CID 56964819
(4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole
CID 66632300

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole?
The IUPAC name of 4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole (CID 12637259) is 4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole.
What is the SMILES notation for 4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole?
The canonical SMILES for 4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole is CC1=NOC(c2ccccc2)(c2ccccc2)C1Br.
What is the InChIKey of 4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole?
The InChIKey is KLZQOKWXLMCRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-12-15(17)16(19-18-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3.
What are the key properties of 4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole?
4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole has a molecular weight of 316.20 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole is sourced from PubChem (CID 12637259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).