N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine

C10H8F3N3O — CID 65100694

IUPACN-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCNCc1noc(-c2c(F)cc(F)cc2F)n1
InChIInChI=1S/C10H8F3N3O/c1-14-4-8-15-10(17-16-8)9-6(12)2-5(11)3-7(9)13/h2-3,14H,4H2,1H3
InChIKeyZGCVEZXFLWCSSO-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.87
Rot. Bonds3

About N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine

N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 65100694) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID65100694
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC NameN-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCNCc1noc(-c2c(F)cc(F)cc2F)n1
InChIInChI=1S/C10H8F3N3O/c1-14-4-8-15-10(17-16-8)9-6(12)2-5(11)3-7(9)13/h2-3,14H,4H2,1H3
InChIKeyZGCVEZXFLWCSSO-UHFFFAOYSA-N
XLogP1.87
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 65100694) is N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine is CNCc1noc(-c2c(F)cc(F)cc2F)n1.
What is the InChIKey of N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is ZGCVEZXFLWCSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-14-4-8-15-10(17-16-8)9-6(12)2-5(11)3-7(9)13/h2-3,14H,4H2,1H3.
What are the key properties of N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 243.19 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 65100694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).