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

C27H15BrF6N4O4S2 — CID 167541386

IUPAC5-[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
SMILESCc1cnc(Oc2cccc(F)c2-c2cc(C(F)F)no2)s1.Fc1cccc(Oc2ncc(Br)s2)c1-c1cc(C(F)F)no1
InChIInChI=1S/C14H9F3N2O2S.C13H6BrF3N2O2S/c1-7-6-18-14(22-7)20-10-4-2-3-8(15)12(10)11-5-9(13(16)17)19-21-11;14-10-5-18-13(22-10)20-8-3-1-2-6(15)11(8)9-4-7(12(16)17)19-21-9/h2-6,13H,1H3;1-5,12H
InChIKeyBFVUQLSTAJVIAU-UHFFFAOYSA-N
MW717.47 g/mol
LogP10.41
Rot. Bonds8

About 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

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 (PubChem CID 167541386) has the molecular formula C27H15BrF6N4O4S2 and a molecular weight of 717.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID167541386
Molecular FormulaC27H15BrF6N4O4S2
Molecular Weight717.47 g/mol
Exact Mass715.96
IUPAC Name5-[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
SMILESCc1cnc(Oc2cccc(F)c2-c2cc(C(F)F)no2)s1.Fc1cccc(Oc2ncc(Br)s2)c1-c1cc(C(F)F)no1
InChIInChI=1S/C14H9F3N2O2S.C13H6BrF3N2O2S/c1-7-6-18-14(22-7)20-10-4-2-3-8(15)12(10)11-5-9(13(16)17)19-21-11;14-10-5-18-13(22-10)20-8-3-1-2-6(15)11(8)9-4-7(12(16)17)19-21-9/h2-6,13H,1H3;1-5,12H
InChIKeyBFVUQLSTAJVIAU-UHFFFAOYSA-N
XLogP10.41
TPSA96.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.47
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 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;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

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;3-(difluoromethyl)-5-[2-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)oxy]phenyl]-1,2-oxazole?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc(Oc2cccc(F)c2-c2cc(C(F)F)no2)s1.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;3-(difluoromethyl)-5-[2-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)oxy]phenyl]-1,2-oxazole?
The InChIKey is BFVUQLSTAJVIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S.C13H6BrF3N2O2S/c1-7-6-18-14(22-7)20-10-4-2-3-8(15)12(10)11-5-9(13(16)17)19-21-11;14-10-5-18-13(22-10)20-8-3-1-2-6(15)11(8)9-4-7(12(16)17)19-21-9/h2-6,13H,1H3;1-5,12H.
What are the key properties of 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?
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 has a molecular weight of 717.47 g/mol, XLogP of 10.41, 8 rotatable bonds, 0 hydrogen bond donors, and 10 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;3-(difluoromethyl)-5-[2-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)oxy]phenyl]-1,2-oxazole is sourced from PubChem (CID 167541386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).