2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

C7H12FN3O — CID 89034695

IUPAC2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(C(C)F)n1
InChIInChI=1S/C7H12FN3O/c1-5(8)7-10-6(11-12-7)3-4-9-2/h5,9H,3-4H2,1-2H3
InChIKeyCPPLNNRPYPLAQW-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.86
Rot. Bonds4

About 2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (PubChem CID 89034695) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
PubChem CID89034695
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC Name2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(C(C)F)n1
InChIInChI=1S/C7H12FN3O/c1-5(8)7-10-6(11-12-7)3-4-9-2/h5,9H,3-4H2,1-2H3
InChIKeyCPPLNNRPYPLAQW-UHFFFAOYSA-N
XLogP0.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (CID 89034695) is 2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is CNCCc1noc(C(C)F)n1.
What is the InChIKey of 2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The InChIKey is CPPLNNRPYPLAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O/c1-5(8)7-10-6(11-12-7)3-4-9-2/h5,9H,3-4H2,1-2H3.
What are the key properties of 2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine has a molecular weight of 173.19 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 89034695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).