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

C9H9BrN4O2 — CID 103437248

IUPAC2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCOc1cc(Br)cc(Nc2nnc(N)o2)c1
InChIInChI=1S/C9H9BrN4O2/c1-15-7-3-5(10)2-6(4-7)12-9-14-13-8(11)16-9/h2-4H,1H3,(H2,11,13)(H,12,14)
InChIKeyJUIXLROOARFZPJ-UHFFFAOYSA-N
MW285.10 g/mol
LogP2.17
Rot. Bonds3

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

2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437248) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437248
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCOc1cc(Br)cc(Nc2nnc(N)o2)c1
InChIInChI=1S/C9H9BrN4O2/c1-15-7-3-5(10)2-6(4-7)12-9-14-13-8(11)16-9/h2-4H,1H3,(H2,11,13)(H,12,14)
InChIKeyJUIXLROOARFZPJ-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

N-(3-bromo-5-methoxyphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963987
2-N-(4-bromo-3-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437245
2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436922
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 82857949
2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436739
2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine
CID 82857715
2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine
CID 82857328
3-N-(3-bromo-5-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 107581916
3-(3-bromo-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbothioamide
CID 82858843
3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine
CID 114837346
2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436829
2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436693

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine (CID 103437248) is 2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine is COc1cc(Br)cc(Nc2nnc(N)o2)c1.
What is the InChIKey of 2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is JUIXLROOARFZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c1-15-7-3-5(10)2-6(4-7)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-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(3-bromo-5-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-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).