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

C4H3F3N2O — CID 20691945

IUPAC2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C4H3F3N2O/c1-2-8-9-3(10-2)4(5,6)7/h1H3
InChIKeyOGOVYAPJJIMAHU-UHFFFAOYSA-N
MW152.07 g/mol
LogP1.40
Rot. Bonds

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

2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 20691945) has the molecular formula C4H3F3N2O and a molecular weight of 152.07 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID20691945
Molecular FormulaC4H3F3N2O
Molecular Weight152.07 g/mol
Exact Mass152.02
IUPAC Name2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C4H3F3N2O/c1-2-8-9-3(10-2)4(5,6)7/h1H3
InChIKeyOGOVYAPJJIMAHU-UHFFFAOYSA-N
XLogP1.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 20691945) is 2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole is Cc1nnc(C(F)(F)F)o1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is OGOVYAPJJIMAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O/c1-2-8-9-3(10-2)4(5,6)7/h1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 152.07 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 20691945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).