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

C10H7F3N2O — CID 59981871

IUPAC5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C10H7F3N2O/c1-6-14-9(15-16-6)7-2-4-8(5-3-7)10(11,12)13/h2-5H,1H3
InChIKeyGDEFEQAMMSBUGM-UHFFFAOYSA-N
MW228.17 g/mol
LogP3.06
Rot. Bonds1

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

5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 59981871) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID59981871
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C10H7F3N2O/c1-6-14-9(15-16-6)7-2-4-8(5-3-7)10(11,12)13/h2-5H,1H3
InChIKeyGDEFEQAMMSBUGM-UHFFFAOYSA-N
XLogP3.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 59981871) is 5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Cc1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is GDEFEQAMMSBUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-6-14-9(15-16-6)7-2-4-8(5-3-7)10(11,12)13/h2-5H,1H3.
What are the key properties of 5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 228.17 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 59981871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).