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

C24H13F6N3O5S — CID 167704434

IUPAC2-[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
SMILESO=Cc1cnc(Oc2cccc(F)c2-c2cc(C(F)F)no2)s1.Oc1cccc(F)c1-c1cc(C(F)F)no1
InChIInChI=1S/C14H7F3N2O3S.C10H6F3NO2/c15-8-2-1-3-10(21-14-18-5-7(6-20)23-14)12(8)11-4-9(13(16)17)19-22-11;11-5-2-1-3-7(15)9(5)8-4-6(10(12)13)14-16-8/h1-6,13H;1-4,10,15H
InChIKeyYWPWOHAQPOONEK-UHFFFAOYSA-N
MW569.44 g/mol
LogP7.60
Rot. Bonds7

About 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

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 (PubChem CID 167704434) has the molecular formula C24H13F6N3O5S and a molecular weight of 569.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID167704434
Molecular FormulaC24H13F6N3O5S
Molecular Weight569.44 g/mol
Exact Mass569.05
IUPAC Name2-[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
SMILESO=Cc1cnc(Oc2cccc(F)c2-c2cc(C(F)F)no2)s1.Oc1cccc(F)c1-c1cc(C(F)F)no1
InChIInChI=1S/C14H7F3N2O3S.C10H6F3NO2/c15-8-2-1-3-10(21-14-18-5-7(6-20)23-14)12(8)11-4-9(13(16)17)19-22-11;11-5-2-1-3-7(15)9(5)8-4-6(10(12)13)14-16-8/h1-6,13H;1-4,10,15H
InChIKeyYWPWOHAQPOONEK-UHFFFAOYSA-N
XLogP7.60
TPSA111.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.44
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=Cc1cnc(Oc2cccc(F)c2-c2cc(C(F)F)no2)s1.Oc1cccc(F)c1-c1cc(C(F)F)no1.
What is the InChIKey of 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?
The InChIKey is YWPWOHAQPOONEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O3S.C10H6F3NO2/c15-8-2-1-3-10(21-14-18-5-7(6-20)23-14)12(8)11-4-9(13(16)17)19-22-11;11-5-2-1-3-7(15)9(5)8-4-6(10(12)13)14-16-8/h1-6,13H;1-4,10,15H.
What are the key properties of 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?
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 has a molecular weight of 569.44 g/mol, XLogP of 7.60, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167704434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).