3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole

C10H9F3N2O — CID 67488059

IUPAC3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
SMILESCC1=NC(c2ccc(C(F)(F)F)cc2)ON1
InChIInChI=1S/C10H9F3N2O/c1-6-14-9(16-15-6)7-2-4-8(5-3-7)10(11,12)13/h2-5,9H,1H3,(H,14,15)
InChIKeyFUIHEMJVXAZPPK-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.66
Rot. Bonds1

About 3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole

3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 67488059) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
PubChem CID67488059
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
SMILESCC1=NC(c2ccc(C(F)(F)F)cc2)ON1
InChIInChI=1S/C10H9F3N2O/c1-6-14-9(16-15-6)7-2-4-8(5-3-7)10(11,12)13/h2-5,9H,1H3,(H,14,15)
InChIKeyFUIHEMJVXAZPPK-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole (CID 67488059) is 3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole is CC1=NC(c2ccc(C(F)(F)F)cc2)ON1.
What is the InChIKey of 3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is FUIHEMJVXAZPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-6-14-9(16-15-6)7-2-4-8(5-3-7)10(11,12)13/h2-5,9H,1H3,(H,14,15).
What are the key properties of 3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 230.19 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 67488059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).