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

C8H6F3N5O2 — CID 36580058

IUPAC3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)on1
InChIInChI=1S/C8H6F3N5O2/c1-3-2-4(18-16-3)5(17)12-7-13-6(14-15-7)8(9,10)11/h2H,1H3,(H2,12,13,14,15,17)
InChIKeyWUJIYFFVDHZXRM-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.37
Rot. Bonds2

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

3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 36580058) has the molecular formula C8H6F3N5O2 and a molecular weight of 261.16 g/mol. Its IUPAC name is 3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID36580058
Molecular FormulaC8H6F3N5O2
Molecular Weight261.16 g/mol
Exact Mass261.05
IUPAC Name3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)on1
InChIInChI=1S/C8H6F3N5O2/c1-3-2-4(18-16-3)5(17)12-7-13-6(14-15-7)8(9,10)11/h2H,1H3,(H2,12,13,14,15,17)
InChIKeyWUJIYFFVDHZXRM-UHFFFAOYSA-N
XLogP1.37
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide (CID 36580058) is 3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)on1.
What is the InChIKey of 3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is WUJIYFFVDHZXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5O2/c1-3-2-4(18-16-3)5(17)12-7-13-6(14-15-7)8(9,10)11/h2H,1H3,(H2,12,13,14,15,17).
What are the key properties of 3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 261.16 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 36580058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).