5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole

C10H7F3N2O — CID 143220608

IUPAC5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cc2c(F)cc(F)cc2F)no1
InChIInChI=1S/C10H7F3N2O/c1-5-14-10(15-16-5)4-7-8(12)2-6(11)3-9(7)13/h2-3H,4H2,1H3
InChIKeyDZFAFTLIYYILIQ-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.39
Rot. Bonds2

About 5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole

5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 143220608) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID143220608
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cc2c(F)cc(F)cc2F)no1
InChIInChI=1S/C10H7F3N2O/c1-5-14-10(15-16-5)4-7-8(12)2-6(11)3-9(7)13/h2-3H,4H2,1H3
InChIKeyDZFAFTLIYYILIQ-UHFFFAOYSA-N
XLogP2.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole (CID 143220608) is 5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole is Cc1nc(Cc2c(F)cc(F)cc2F)no1.
What is the InChIKey of 5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is DZFAFTLIYYILIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-5-14-10(15-16-5)4-7-8(12)2-6(11)3-9(7)13/h2-3H,4H2,1H3.
What are the key properties of 5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole?
5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 228.17 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2,4,6-trifluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 143220608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).