1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine

C11H11BrFN3O2 — CID 104633813

IUPAC1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
SMILESCOCC(N)c1noc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C11H11BrFN3O2/c1-17-5-9(14)10-15-11(18-16-10)7-4-6(13)2-3-8(7)12/h2-4,9H,5,14H2,1H3
InChIKeyVEIFUMLSNVSSDV-UHFFFAOYSA-N
MW316.13 g/mol
LogP2.28
Rot. Bonds4

About 1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine

1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine (PubChem CID 104633813) has the molecular formula C11H11BrFN3O2 and a molecular weight of 316.13 g/mol. Its IUPAC name is 1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine.

Molecular Properties

Compound Name1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
PubChem CID104633813
Molecular FormulaC11H11BrFN3O2
Molecular Weight316.13 g/mol
Exact Mass315.00
IUPAC Name1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
SMILESCOCC(N)c1noc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C11H11BrFN3O2/c1-17-5-9(14)10-15-11(18-16-10)7-4-6(13)2-3-8(7)12/h2-4,9H,5,14H2,1H3
InChIKeyVEIFUMLSNVSSDV-UHFFFAOYSA-N
XLogP2.28
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633731
2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633749
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 104634100
1-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 114375359
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325628
1-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633744
1-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633816
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325634
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633581
1-[5-(4,5-difluoro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633586
5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole
CID 112571851
2-methoxy-1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633650

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
The IUPAC name of 1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine (CID 104633813) is 1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine.
What is the SMILES notation for 1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
The canonical SMILES for 1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine is COCC(N)c1noc(-c2cc(F)ccc2Br)n1.
What is the InChIKey of 1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
The InChIKey is VEIFUMLSNVSSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2/c1-17-5-9(14)10-15-11(18-16-10)7-4-6(13)2-3-8(7)12/h2-4,9H,5,14H2,1H3.
What are the key properties of 1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine has a molecular weight of 316.13 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine is sourced from PubChem (CID 104633813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).