1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone

C26H23F2NO2 — CID 162261060

IUPAC1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone
SMILESCc1ccc(C2=NOC(C)(C)C2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H23F2NO2/c1-16-7-10-19(23-15-26(2,3)31-29-23)14-20(16)18-11-8-17(9-12-18)13-24(30)25-21(27)5-4-6-22(25)28/h4-12,14H,13,15H2,1-3H3
InChIKeyBMNVAZHLZOYVDD-UHFFFAOYSA-N
MW419.47 g/mol
LogP6.27
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone

1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone (PubChem CID 162261060) has the molecular formula C26H23F2NO2 and a molecular weight of 419.47 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone
PubChem CID162261060
Molecular FormulaC26H23F2NO2
Molecular Weight419.47 g/mol
Exact Mass419.17
IUPAC Name1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone
SMILESCc1ccc(C2=NOC(C)(C)C2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H23F2NO2/c1-16-7-10-19(23-15-26(2,3)31-29-23)14-20(16)18-11-8-17(9-12-18)13-24(30)25-21(27)5-4-6-22(25)28/h4-12,14H,13,15H2,1-3H3
InChIKeyBMNVAZHLZOYVDD-UHFFFAOYSA-N
XLogP6.27
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.47
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone with MolForge

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Related Compounds

[(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] 3-(trifluoromethyl)benzoate
CID 9580647
[1-[4-(2-Fluorophenyl)phenyl]propylideneamino] 3-(trifluoromethyl)benzoate
CID 2741171
[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-(trifluoromethyl)phenyl]-phenylmethanone
CID 71541514
[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 102307517
(3S)-1-[3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)phenyl]-3-(4H-pyrazol-3-yl)butan-1-one
CID 58096030
1-[3-(2-Fluoro-4-methylphenyl)-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenyl]-3-methylbutan-1-one
CID 58096033
1-[3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58096042
2-[3-[3-(4-fluorophenyl)butanoyl]-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]benzonitrile
CID 58096069
1-[3-(2,4-difluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58096091
1-[3-(2-Fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)phenyl]-3-methylbutan-1-one
CID 58096096
1-[3-(4-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58096132
1-[3-(2-Fluoro-4-methylphenyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenyl]-3-methylbutan-1-one
CID 58096196

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone (CID 162261060) is 1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone is Cc1ccc(C2=NOC(C)(C)C2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone?
The InChIKey is BMNVAZHLZOYVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2NO2/c1-16-7-10-19(23-15-26(2,3)31-29-23)14-20(16)18-11-8-17(9-12-18)13-24(30)25-21(27)5-4-6-22(25)28/h4-12,14H,13,15H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone?
1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone has a molecular weight of 419.47 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[4-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]ethanone is sourced from PubChem (CID 162261060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).