2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine

C9H9BrN4O2 — CID 103436922

IUPAC2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCOc1ccc(Br)cc1Nc1nnc(N)o1
InChIInChI=1S/C9H9BrN4O2/c1-15-7-3-2-5(10)4-6(7)12-9-14-13-8(11)16-9/h2-4H,1H3,(H2,11,13)(H,12,14)
InChIKeyYYMNYQAORVGWLL-UHFFFAOYSA-N
MW285.10 g/mol
LogP2.17
Rot. Bonds3

About 2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436922) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436922
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCOc1ccc(Br)cc1Nc1nnc(N)o1
InChIInChI=1S/C9H9BrN4O2/c1-15-7-3-2-5(10)4-6(7)12-9-14-13-8(11)16-9/h2-4H,1H3,(H2,11,13)(H,12,14)
InChIKeyYYMNYQAORVGWLL-UHFFFAOYSA-N
XLogP2.17
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436693
N-(5-bromo-2-methoxyphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960031
2-N-(4-bromo-3-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437245
2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436739
2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437248
2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436471
5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine
CID 113423853
3-N-(5-bromo-2-methoxyphenyl)benzene-1,3-diamine
CID 54968360
4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 80804517
2-N-(5-bromo-2-methoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 55068109
1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62912318
2-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436661

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436922) is 2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine is COc1ccc(Br)cc1Nc1nnc(N)o1.
What is the InChIKey of 2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is YYMNYQAORVGWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c1-15-7-3-2-5(10)4-6(7)12-9-14-13-8(11)16-9/h2-4H,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 285.10 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).