5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol

C23H12BrF6N3O4S — CID 167571110

IUPAC5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol
SMILESFc1cccc(Oc2ncc(Br)s2)c1-c1cc(C(F)F)no1.Oc1cccc(F)c1-c1cc(C(F)F)no1
InChIInChI=1S/C13H6BrF3N2O2S.C10H6F3NO2/c14-10-5-18-13(22-10)20-8-3-1-2-6(15)11(8)9-4-7(12(16)17)19-21-9;11-5-2-1-3-7(15)9(5)8-4-6(10(12)13)14-16-8/h1-5,12H;1-4,10,15H
InChIKeyFXOOGSBKHMQTAA-UHFFFAOYSA-N
MW620.33 g/mol
LogP8.55
Rot. Bonds6

About 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol

5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol (PubChem CID 167571110) has the molecular formula C23H12BrF6N3O4S and a molecular weight of 620.33 g/mol. Its IUPAC name is 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol.

Molecular Properties

Compound Name5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol
PubChem CID167571110
Molecular FormulaC23H12BrF6N3O4S
Molecular Weight620.33 g/mol
Exact Mass618.96
IUPAC Name5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol
SMILESFc1cccc(Oc2ncc(Br)s2)c1-c1cc(C(F)F)no1.Oc1cccc(F)c1-c1cc(C(F)F)no1
InChIInChI=1S/C13H6BrF3N2O2S.C10H6F3NO2/c14-10-5-18-13(22-10)20-8-3-1-2-6(15)11(8)9-4-7(12(16)17)19-21-9;11-5-2-1-3-7(15)9(5)8-4-6(10(12)13)14-16-8/h1-5,12H;1-4,10,15H
InChIKeyFXOOGSBKHMQTAA-UHFFFAOYSA-N
XLogP8.55
TPSA94.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.33
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol with MolForge

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Related Compounds

5-[2-[(5-Bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole
CID 156365380
3-(Difluoromethyl)-5-[2-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)oxy]phenyl]-1,2-oxazole
CID 156365636
2-[2-[3-(Difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenoxy]-1,3-thiazole-5-carbaldehyde
CID 156365659
3-(Difluoromethyl)-5-[2-[[5-(difluoromethyl)-1,3-thiazol-2-yl]oxy]-6-fluorophenyl]-1,2-oxazole
CID 156382867
2-[3-Fluoro-2-[3-(1-fluoroethyl)-1,2-oxazol-5-yl]phenoxy]-1,3-thiazole-5-carbaldehyde
CID 156383117
3-(Difluoromethyl)-5-[2-[(5-ethenyl-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-1,2-oxazole
CID 156383290
5-[2-[(5-Bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;ethane
CID 156738833
5-[2-[(5-Bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;3-(difluoromethyl)-5-[2-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)oxy]phenyl]-1,2-oxazole
CID 167541386
3-(Difluoromethyl)-5-[2-[[5-(difluoromethyl)-1,3-thiazol-2-yl]oxy]-6-fluorophenyl]-1,2-oxazole;2-[2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenoxy]-1,3-thiazole-5-carbaldehyde
CID 167571867
5-[2-[(5-Bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenoxy]-1,3-thiazole-5-carbaldehyde
CID 167639895
2-[3-(Difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol;2-[2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenoxy]-1,3-thiazole-5-carbaldehyde
CID 167704434

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol?
The IUPAC name of 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol (CID 167571110) is 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol.
What is the SMILES notation for 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol?
The canonical SMILES for 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol is Fc1cccc(Oc2ncc(Br)s2)c1-c1cc(C(F)F)no1.Oc1cccc(F)c1-c1cc(C(F)F)no1.
What is the InChIKey of 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol?
The InChIKey is FXOOGSBKHMQTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3N2O2S.C10H6F3NO2/c14-10-5-18-13(22-10)20-8-3-1-2-6(15)11(8)9-4-7(12(16)17)19-21-9;11-5-2-1-3-7(15)9(5)8-4-6(10(12)13)14-16-8/h1-5,12H;1-4,10,15H.
What are the key properties of 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol?
5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol has a molecular weight of 620.33 g/mol, XLogP of 8.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;2-[3-(difluoromethyl)-1,2-oxazol-5-yl]-3-fluorophenol is sourced from PubChem (CID 167571110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).