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

C7H5F3N4O — CID 167938446

IUPAC5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole
SMILESCc1cc(-c2n[nH]c(C(F)(F)F)n2)no1
InChIInChI=1S/C7H5F3N4O/c1-3-2-4(14-15-3)5-11-6(13-12-5)7(8,9)10/h2H,1H3,(H,11,12,13)
InChIKeyWAQNXYWCJQGYKA-UHFFFAOYSA-N
MW218.14 g/mol
LogP1.79
Rot. Bonds1

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

5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole (PubChem CID 167938446) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole
PubChem CID167938446
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole
SMILESCc1cc(-c2n[nH]c(C(F)(F)F)n2)no1
InChIInChI=1S/C7H5F3N4O/c1-3-2-4(14-15-3)5-11-6(13-12-5)7(8,9)10/h2H,1H3,(H,11,12,13)
InChIKeyWAQNXYWCJQGYKA-UHFFFAOYSA-N
XLogP1.79
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole (CID 167938446) is 5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole is Cc1cc(-c2n[nH]c(C(F)(F)F)n2)no1.
What is the InChIKey of 5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole?
The InChIKey is WAQNXYWCJQGYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c1-3-2-4(14-15-3)5-11-6(13-12-5)7(8,9)10/h2H,1H3,(H,11,12,13).
What are the key properties of 5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole?
5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole has a molecular weight of 218.14 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 167938446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).