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

C15H12BrF3N2O2S — CID 156738833

IUPAC5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;ethane
SMILESCC.Fc1cccc(Oc2ncc(Br)s2)c1-c1cc(C(F)F)no1
InChIInChI=1S/C13H6BrF3N2O2S.C2H6/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;1-2/h1-5,12H;1-2H3
InChIKeySYUWUKJJAYPKEM-UHFFFAOYSA-N
MW421.24 g/mol
LogP6.46
Rot. Bonds4

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

5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;ethane (PubChem CID 156738833) has the molecular formula C15H12BrF3N2O2S and a molecular weight of 421.24 g/mol. Its IUPAC name is 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;ethane.

Molecular Properties

Compound Name5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;ethane
PubChem CID156738833
Molecular FormulaC15H12BrF3N2O2S
Molecular Weight421.24 g/mol
Exact Mass419.98
IUPAC Name5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;ethane
SMILESCC.Fc1cccc(Oc2ncc(Br)s2)c1-c1cc(C(F)F)no1
InChIInChI=1S/C13H6BrF3N2O2S.C2H6/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;1-2/h1-5,12H;1-2H3
InChIKeySYUWUKJJAYPKEM-UHFFFAOYSA-N
XLogP6.46
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.24
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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;3-(difluoromethyl)-5-[2-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)oxy]phenyl]-1,2-oxazole
CID 167541386
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
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
5-Phenyl-3-(1,3-thiazol-5-ylmethoxy)-1,2-oxazole
CID 167983700

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;ethane?
The IUPAC name of 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;ethane (CID 156738833) is 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;ethane.
What is the SMILES notation for 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;ethane?
The canonical SMILES for 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;ethane is CC.Fc1cccc(Oc2ncc(Br)s2)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;ethane?
The InChIKey is SYUWUKJJAYPKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3N2O2S.C2H6/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;1-2/h1-5,12H;1-2H3.
What are the key properties of 5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;ethane?
5-[2-[(5-bromo-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]-3-(difluoromethyl)-1,2-oxazole;ethane has a molecular weight of 421.24 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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;ethane is sourced from PubChem (CID 156738833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).