3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole

C17H13BrF3NO — CID 166520923

IUPAC3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
SMILESFC(F)(F)CC1(c2ccccc2)CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C17H13BrF3NO/c18-14-8-6-12(7-9-14)15-10-16(23-22-15,11-17(19,20)21)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyORKNJUAEMXVSHZ-UHFFFAOYSA-N
MW384.19 g/mol
LogP5.42
Rot. Bonds3

About 3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole

3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole (PubChem CID 166520923) has the molecular formula C17H13BrF3NO and a molecular weight of 384.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
PubChem CID166520923
Molecular FormulaC17H13BrF3NO
Molecular Weight384.19 g/mol
Exact Mass383.01
IUPAC Name3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
SMILESFC(F)(F)CC1(c2ccccc2)CC(c2ccc(Br)cc2)=NO1
InChIInChI=1S/C17H13BrF3NO/c18-14-8-6-12(7-9-14)15-10-16(23-22-15,11-17(19,20)21)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyORKNJUAEMXVSHZ-UHFFFAOYSA-N
XLogP5.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.19
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine
CID 2799914
(Z)-N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine
CID 5712859
3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
CID 164685193
3-(4-Bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole
CID 15121531
(E)-N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine
CID 9583132
(5R)-5-(4-bromophenyl)-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
CID 46928532
(4S,5S)-5-(4-bromophenyl)-4-nitro-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
CID 134944719
(5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
CID 166442988
(5S)-3-phenyl-5-(2,2,2-trifluoroethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 166442991
3,5-Bis(4-bromophenyl)-4,5-dihydroisoxazole
CID 42962319
5-(4-Bromophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 11358545
5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole
CID 132569731

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole?
The IUPAC name of 3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole (CID 166520923) is 3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole?
The canonical SMILES for 3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole is FC(F)(F)CC1(c2ccccc2)CC(c2ccc(Br)cc2)=NO1.
What is the InChIKey of 3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole?
The InChIKey is ORKNJUAEMXVSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3NO/c18-14-8-6-12(7-9-14)15-10-16(23-22-15,11-17(19,20)21)13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of 3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole?
3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole has a molecular weight of 384.19 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole is sourced from PubChem (CID 166520923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).