2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide

C13H14FN3O2 — CID 71970424

IUPAC2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(CCc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3O2/c1-15-12(18)8-11-16-13(19-17-11)6-5-9-3-2-4-10(14)7-9/h2-4,7H,5-6,8H2,1H3,(H,15,18)
InChIKeyGVXKYACGMPBLNB-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.28
Rot. Bonds5

About 2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide

2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 71970424) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID71970424
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(CCc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3O2/c1-15-12(18)8-11-16-13(19-17-11)6-5-9-3-2-4-10(14)7-9/h2-4,7H,5-6,8H2,1H3,(H,15,18)
InChIKeyGVXKYACGMPBLNB-UHFFFAOYSA-N
XLogP1.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (CID 71970424) is 2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is CNC(=O)Cc1noc(CCc2cccc(F)c2)n1.
What is the InChIKey of 2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is GVXKYACGMPBLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-15-12(18)8-11-16-13(19-17-11)6-5-9-3-2-4-10(14)7-9/h2-4,7H,5-6,8H2,1H3,(H,15,18).
What are the key properties of 2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 263.27 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 71970424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).