3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C13H10BrN3O2S — CID 106950800

IUPAC3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCOc1ccc(-c2noc(-c3ccsc3N)n2)cc1Br
InChIInChI=1S/C13H10BrN3O2S/c1-18-10-3-2-7(6-9(10)14)12-16-13(19-17-12)8-4-5-20-11(8)15/h2-6H,15H2,1H3
InChIKeyZDRVXOJJDCANQL-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.82
Rot. Bonds3

About 3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 106950800) has the molecular formula C13H10BrN3O2S and a molecular weight of 352.21 g/mol. Its IUPAC name is 3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID106950800
Molecular FormulaC13H10BrN3O2S
Molecular Weight352.21 g/mol
Exact Mass350.97
IUPAC Name3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCOc1ccc(-c2noc(-c3ccsc3N)n2)cc1Br
InChIInChI=1S/C13H10BrN3O2S/c1-18-10-3-2-7(6-9(10)14)12-16-13(19-17-12)8-4-5-20-11(8)15/h2-6H,15H2,1H3
InChIKeyZDRVXOJJDCANQL-UHFFFAOYSA-N
XLogP3.82
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 82809692
4-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 106950682
6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 106950754
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43152104
3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 63096652
N-[[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106950694
3-(3-bromo-4-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole
CID 2040223
1-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 106950862
4-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106950836
3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 106950877
3-amino-1-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837454
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 106950800) is 3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is COc1ccc(-c2noc(-c3ccsc3N)n2)cc1Br.
What is the InChIKey of 3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is ZDRVXOJJDCANQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c1-18-10-3-2-7(6-9(10)14)12-16-13(19-17-12)8-4-5-20-11(8)15/h2-6H,15H2,1H3.
What are the key properties of 3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 352.21 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 106950800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).