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

C10H10F3N5O2 — CID 171679224

IUPAC4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2nc(C(F)(F)F)nn2C)c1C
InChIInChI=1S/C10H10F3N5O2/c1-4-5(2)20-17-6(4)7(19)14-9-15-8(10(11,12)13)16-18(9)3/h1-3H3,(H,14,15,16,19)
InChIKeyOSQRXOHVNXUSML-UHFFFAOYSA-N
MW289.22 g/mol
LogP1.69
Rot. Bonds2

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

4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 171679224) has the molecular formula C10H10F3N5O2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID171679224
Molecular FormulaC10H10F3N5O2
Molecular Weight289.22 g/mol
Exact Mass289.08
IUPAC Name4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2nc(C(F)(F)F)nn2C)c1C
InChIInChI=1S/C10H10F3N5O2/c1-4-5(2)20-17-6(4)7(19)14-9-15-8(10(11,12)13)16-18(9)3/h1-3H3,(H,14,15,16,19)
InChIKeyOSQRXOHVNXUSML-UHFFFAOYSA-N
XLogP1.69
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 171679218
2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 91455987
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 171679270
3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide
CID 171679215
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 171679225
4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 110860744
4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 171679236
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide
CID 171679266
[3-methyl-5-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]carbamoyl]phenyl] acetate
CID 59581591
N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110855367
4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 171679272
N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 171679265

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide (CID 171679224) is 4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2nc(C(F)(F)F)nn2C)c1C.
What is the InChIKey of 4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is OSQRXOHVNXUSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2/c1-4-5(2)20-17-6(4)7(19)14-9-15-8(10(11,12)13)16-18(9)3/h1-3H3,(H,14,15,16,19).
What are the key properties of 4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide?
4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 289.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 171679224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).