3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole

C13H17F3N6O3 — CID 160887600

IUPAC3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCCc1noc(C)n1.Cc1nc(C(F)(F)F)no1.Cc1noc(C)n1
InChIInChI=1S/C5H8N2O.C4H3F3N2O.C4H6N2O/c1-3-5-6-4(2)8-7-5;1-2-8-3(9-10-2)4(5,6)7;1-3-5-4(2)7-6-3/h3H2,1-2H3;1H3;1-2H3
InChIKeySNVQILCKFCYAEM-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.02
Rot. Bonds1

About 3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole

3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 160887600) has the molecular formula C13H17F3N6O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID160887600
Molecular FormulaC13H17F3N6O3
Molecular Weight362.31 g/mol
Exact Mass362.13
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCCc1noc(C)n1.Cc1nc(C(F)(F)F)no1.Cc1noc(C)n1
InChIInChI=1S/C5H8N2O.C4H3F3N2O.C4H6N2O/c1-3-5-6-4(2)8-7-5;1-2-8-3(9-10-2)4(5,6)7;1-3-5-4(2)7-6-3/h3H2,1-2H3;1H3;1-2H3
InChIKeySNVQILCKFCYAEM-UHFFFAOYSA-N
XLogP3.02
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 160887600) is 3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole is CCc1noc(C)n1.Cc1nc(C(F)(F)F)no1.Cc1noc(C)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is SNVQILCKFCYAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C4H3F3N2O.C4H6N2O/c1-3-5-6-4(2)8-7-5;1-2-8-3(9-10-2)4(5,6)7;1-3-5-4(2)7-6-3/h3H2,1-2H3;1H3;1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole?
3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 362.31 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-oxadiazole;3-ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 160887600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).