[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol

C16H10BrClFNO2 — CID 131866841

IUPAC[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2c(F)cccc2Cl)noc1-c1ccc(Br)cc1
InChIInChI=1S/C16H10BrClFNO2/c17-10-6-4-9(5-7-10)16-11(8-21)15(20-22-16)14-12(18)2-1-3-13(14)19/h1-7,21H,8H2
InChIKeyRJSIVCMJIJSRMH-UHFFFAOYSA-N
MW382.62 g/mol
LogP5.06
Rot. Bonds3

About [5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol

[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131866841) has the molecular formula C16H10BrClFNO2 and a molecular weight of 382.62 g/mol. Its IUPAC name is [5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131866841
Molecular FormulaC16H10BrClFNO2
Molecular Weight382.62 g/mol
Exact Mass380.96
IUPAC Name[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2c(F)cccc2Cl)noc1-c1ccc(Br)cc1
InChIInChI=1S/C16H10BrClFNO2/c17-10-6-4-9(5-7-10)16-11(8-21)15(20-22-16)14-12(18)2-1-3-13(14)19/h1-7,21H,8H2
InChIKeyRJSIVCMJIJSRMH-UHFFFAOYSA-N
XLogP5.06
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol with MolForge

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Related Compounds

[3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868178
[3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867826
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867285
3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335687
[3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868496
[3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868091
[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868233
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868204
[3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867941

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131866841) is [5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2c(F)cccc2Cl)noc1-c1ccc(Br)cc1.
What is the InChIKey of [5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is RJSIVCMJIJSRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClFNO2/c17-10-6-4-9(5-7-10)16-11(8-21)15(20-22-16)14-12(18)2-1-3-13(14)19/h1-7,21H,8H2.
What are the key properties of [5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol?
[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 382.62 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131866841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).