6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C14H11BrN4O2 — CID 106950754

IUPAC6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCOc1ccc(-c2noc(-c3cccc(N)n3)n2)cc1Br
InChIInChI=1S/C14H11BrN4O2/c1-20-11-6-5-8(7-9(11)15)13-18-14(21-19-13)10-3-2-4-12(16)17-10/h2-7H,1H3,(H2,16,17)
InChIKeyYJZYMRZDGHOBPJ-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.15
Rot. Bonds3

About 6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 106950754) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID106950754
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCOc1ccc(-c2noc(-c3cccc(N)n3)n2)cc1Br
InChIInChI=1S/C14H11BrN4O2/c1-20-11-6-5-8(7-9(11)15)13-18-14(21-19-13)10-3-2-4-12(16)17-10/h2-7H,1H3,(H2,16,17)
InChIKeyYJZYMRZDGHOBPJ-UHFFFAOYSA-N
XLogP3.15
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 106950682
3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 106950800
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
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
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
2-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylaniline
CID 107916362
3-amino-1-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837454
(1S)-1-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145202
1-[5-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323783

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 106950754) is 6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is COc1ccc(-c2noc(-c3cccc(N)n3)n2)cc1Br.
What is the InChIKey of 6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is YJZYMRZDGHOBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c1-20-11-6-5-8(7-9(11)15)13-18-14(21-19-13)10-3-2-4-12(16)17-10/h2-7H,1H3,(H2,16,17).
What are the key properties of 6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 347.17 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 106950754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).