5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole

C15H12F4N4OS — CID 8881393

IUPAC5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
SMILESCc1c(CSc2nnc(C(F)(F)F)n2C)noc1-c1ccc(F)cc1
InChIInChI=1S/C15H12F4N4OS/c1-8-11(22-24-12(8)9-3-5-10(16)6-4-9)7-25-14-21-20-13(23(14)2)15(17,18)19/h3-6H,7H2,1-2H3
InChIKeyYLXWNJMQTNYOPZ-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.23
Rot. Bonds4

About 5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole

5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole (PubChem CID 8881393) has the molecular formula C15H12F4N4OS and a molecular weight of 372.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
PubChem CID8881393
Molecular FormulaC15H12F4N4OS
Molecular Weight372.35 g/mol
Exact Mass372.07
IUPAC Name5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
SMILESCc1c(CSc2nnc(C(F)(F)F)n2C)noc1-c1ccc(F)cc1
InChIInChI=1S/C15H12F4N4OS/c1-8-11(22-24-12(8)9-3-5-10(16)6-4-9)7-25-14-21-20-13(23(14)2)15(17,18)19/h3-6H,7H2,1-2H3
InChIKeyYLXWNJMQTNYOPZ-UHFFFAOYSA-N
XLogP4.23
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole
CID 8649369
3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
CID 8750407
2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 8845401
5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 8973524
2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-3-propan-2-ylquinazolin-4-one
CID 8849026
4-[4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]thiadiazole
CID 2739508
3-(2-methoxyphenyl)-5-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
CID 17450078
1-(4-fluorophenoxy)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
CID 112758365
4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16611480
2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione
CID 3609796
5-butyl-3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 47069698
3-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86901073

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole (CID 8881393) is 5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole is Cc1c(CSc2nnc(C(F)(F)F)n2C)noc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole?
The InChIKey is YLXWNJMQTNYOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N4OS/c1-8-11(22-24-12(8)9-3-5-10(16)6-4-9)7-25-14-21-20-13(23(14)2)15(17,18)19/h3-6H,7H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole?
5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole has a molecular weight of 372.35 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 8881393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).