[3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol

C16H9BrF3NO2 — CID 131867155

IUPAC[3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc(Br)c2)noc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C16H9BrF3NO2/c17-9-3-1-2-8(4-9)15-11(7-22)16(23-21-15)10-5-13(19)14(20)6-12(10)18/h1-6,22H,7H2
InChIKeyCMYRATXHUMOADH-UHFFFAOYSA-N
MW384.15 g/mol
LogP4.68
Rot. Bonds3

About [3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol

[3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131867155) has the molecular formula C16H9BrF3NO2 and a molecular weight of 384.15 g/mol. Its IUPAC name is [3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131867155
Molecular FormulaC16H9BrF3NO2
Molecular Weight384.15 g/mol
Exact Mass382.98
IUPAC Name[3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc(Br)c2)noc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C16H9BrF3NO2/c17-9-3-1-2-8(4-9)15-11(7-22)16(23-21-15)10-5-13(19)14(20)6-12(10)18/h1-6,22H,7H2
InChIKeyCMYRATXHUMOADH-UHFFFAOYSA-N
XLogP4.68
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.15
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol 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

[5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868468
[3-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867217
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868204
[3-(3,5-difluorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868050
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751
[5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868413
[5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol
CID 131868108
[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866841
[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866952
[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868157
[5-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867293
[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867285

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131867155) is [3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2cccc(Br)c2)noc1-c1cc(F)c(F)cc1F.
What is the InChIKey of [3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is CMYRATXHUMOADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF3NO2/c17-9-3-1-2-8(4-9)15-11(7-22)16(23-21-15)10-5-13(19)14(20)6-12(10)18/h1-6,22H,7H2.
What are the key properties of [3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol?
[3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 384.15 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131867155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).