2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine

C13H16FN3O2 — CID 104633864

IUPAC2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(Cc2cccc(F)c2)n1
InChIInChI=1S/C13H16FN3O2/c1-2-18-8-11(15)13-16-12(19-17-13)7-9-4-3-5-10(14)6-9/h3-6,11H,2,7-8,15H2,1H3
InChIKeyYRCKETKAKSYAEB-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.84
Rot. Bonds6

About 2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine

2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104633864) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104633864
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(Cc2cccc(F)c2)n1
InChIInChI=1S/C13H16FN3O2/c1-2-18-8-11(15)13-16-12(19-17-13)7-9-4-3-5-10(14)6-9/h3-6,11H,2,7-8,15H2,1H3
InChIKeyYRCKETKAKSYAEB-UHFFFAOYSA-N
XLogP1.84
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61324398
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine
CID 104634245
1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634676
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61324401
1-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634543
2-ethoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634109
2-ethoxy-1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633999
1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634360
2-ethoxy-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435421
1-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634404
2-ethoxy-1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633922
5-[(3-fluorophenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343191

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 104633864) is 2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine is CCOCC(N)c1noc(Cc2cccc(F)c2)n1.
What is the InChIKey of 2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is YRCKETKAKSYAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-2-18-8-11(15)13-16-12(19-17-13)7-9-4-3-5-10(14)6-9/h3-6,11H,2,7-8,15H2,1H3.
What are the key properties of 2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 265.29 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104633864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).