5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole

C15H10F4N2O3S2 — CID 22746035

IUPAC5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
SMILESCc1csc(-c2noc(C(F)F)c2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1
InChIInChI=1S/C15H10F4N2O3S2/c1-6-5-25-15(20-6)11-10(12(14(18)19)24-21-11)7-3-8(16)13(9(17)4-7)26(2,22)23/h3-5,14H,1-2H3
InChIKeyXSBCJQGJWBXZMU-UHFFFAOYSA-N
MW406.38 g/mol
LogP4.39
Rot. Bonds4

About 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole

5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole (PubChem CID 22746035) has the molecular formula C15H10F4N2O3S2 and a molecular weight of 406.38 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
PubChem CID22746035
Molecular FormulaC15H10F4N2O3S2
Molecular Weight406.38 g/mol
Exact Mass406.01
IUPAC Name5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
SMILESCc1csc(-c2noc(C(F)F)c2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1
InChIInChI=1S/C15H10F4N2O3S2/c1-6-5-25-15(20-6)11-10(12(14(18)19)24-21-11)7-3-8(16)13(9(17)4-7)26(2,22)23/h3-5,14H,1-2H3
InChIKeyXSBCJQGJWBXZMU-UHFFFAOYSA-N
XLogP4.39
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-bromophenyl)-5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1,2-oxazole
CID 22746259
5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole
CID 22745688
2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 22745833
4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745916
4-[5-(difluoromethyl)-3-[3-methyl-4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22746022
3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22746037
3-(3,5-dibromophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22747010
[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol
CID 22747211
2,6-difluoro-4-[2-(4-methyl-1,3-thiazol-2-yl)cyclopenten-1-yl]benzenesulfonamide
CID 22746424
[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol
CID 22745420
3-(3,5-difluoro-4-methylsulfonylphenyl)-4-(3,4-dimethylphenyl)thiophene
CID 22746938
4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazole
CID 22747205

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole?
The IUPAC name of 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole (CID 22746035) is 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole?
The canonical SMILES for 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole is Cc1csc(-c2noc(C(F)F)c2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1.
What is the InChIKey of 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole?
The InChIKey is XSBCJQGJWBXZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O3S2/c1-6-5-25-15(20-6)11-10(12(14(18)19)24-21-11)7-3-8(16)13(9(17)4-7)26(2,22)23/h3-5,14H,1-2H3.
What are the key properties of 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole?
5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole has a molecular weight of 406.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 22746035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).