[3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

C10H10BrN3OS — CID 117483211

IUPAC[3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCSc1ccc(Br)cc1-c1noc(CN)n1
InChIInChI=1S/C10H10BrN3OS/c1-16-8-3-2-6(11)4-7(8)10-13-9(5-12)15-14-10/h2-4H,5,12H2,1H3
InChIKeyWRUFJXKQPMAHEA-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.68
Rot. Bonds3

About [3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117483211) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is [3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117483211
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name[3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCSc1ccc(Br)cc1-c1noc(CN)n1
InChIInChI=1S/C10H10BrN3OS/c1-16-8-3-2-6(11)4-7(8)10-13-9(5-12)15-14-10/h2-4H,5,12H2,1H3
InChIKeyWRUFJXKQPMAHEA-UHFFFAOYSA-N
XLogP2.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-bromo-2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117491798
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-bromobenzene-1,2-diol
CID 136968250
[3-[5-(1,1-difluoroethyl)-2-fluorophenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117395718
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-bromo-6-methoxyphenol
CID 136966383
[3-(2-bromo-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117456713
[3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117337404
2-[[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 103083322
[3-(3,5-difluoro-4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117395925
[3-(2,5-difluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354397
[1-[[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 103083398
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-2-methylbenzoic acid
CID 117380462
1-[3-(5-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 112751732

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117483211) is [3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is CSc1ccc(Br)cc1-c1noc(CN)n1.
What is the InChIKey of [3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is WRUFJXKQPMAHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-16-8-3-2-6(11)4-7(8)10-13-9(5-12)15-14-10/h2-4H,5,12H2,1H3.
What are the key properties of [3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 300.18 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117483211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).