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

C9H10BrN3O2S — CID 107965425

IUPAC1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
SMILESCOCC(N)c1noc(-c2csc(Br)c2)n1
InChIInChI=1S/C9H10BrN3O2S/c1-14-3-6(11)8-12-9(15-13-8)5-2-7(10)16-4-5/h2,4,6H,3,11H2,1H3
InChIKeyHQPSTSJJMBLDOQ-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.21
Rot. Bonds4

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

1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine (PubChem CID 107965425) has the molecular formula C9H10BrN3O2S and a molecular weight of 304.17 g/mol. Its IUPAC name is 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine.

Molecular Properties

Compound Name1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
PubChem CID107965425
Molecular FormulaC9H10BrN3O2S
Molecular Weight304.17 g/mol
Exact Mass302.97
IUPAC Name1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
SMILESCOCC(N)c1noc(-c2csc(Br)c2)n1
InChIInChI=1S/C9H10BrN3O2S/c1-14-3-6(11)8-12-9(15-13-8)5-2-7(10)16-4-5/h2,4,6H,3,11H2,1H3
InChIKeyHQPSTSJJMBLDOQ-UHFFFAOYSA-N
XLogP2.21
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 114021757
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 107965435
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107965393
2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633580
2-methoxy-1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633650
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633581
2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633749
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633731
1-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633744
1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633813
5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole
CID 130891325
2-methoxy-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633592

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
The IUPAC name of 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine (CID 107965425) is 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine.
What is the SMILES notation for 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
The canonical SMILES for 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine is COCC(N)c1noc(-c2csc(Br)c2)n1.
What is the InChIKey of 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
The InChIKey is HQPSTSJJMBLDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2S/c1-14-3-6(11)8-12-9(15-13-8)5-2-7(10)16-4-5/h2,4,6H,3,11H2,1H3.
What are the key properties of 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine has a molecular weight of 304.17 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine is sourced from PubChem (CID 107965425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).