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

C9H9BrN4O — CID 103436693

IUPAC2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCc1ccc(Br)cc1Nc1nnc(N)o1
InChIInChI=1S/C9H9BrN4O/c1-5-2-3-6(10)4-7(5)12-9-14-13-8(11)15-9/h2-4H,1H3,(H2,11,13)(H,12,14)
InChIKeyYUUBFGSMSYVLSL-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.47
Rot. Bonds2

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

2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436693) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436693
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCc1ccc(Br)cc1Nc1nnc(N)o1
InChIInChI=1S/C9H9BrN4O/c1-5-2-3-6(10)4-7(5)12-9-14-13-8(11)15-9/h2-4H,1H3,(H2,11,13)(H,12,14)
InChIKeyYUUBFGSMSYVLSL-UHFFFAOYSA-N
XLogP2.47
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436922
2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126652
2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437400
2-N-(5-bromo-2-methylphenyl)-4,5-difluorobenzene-1,2-diamine
CID 112751793
4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554624
1-N-(5-bromo-2-methylphenyl)-2,6-difluorobenzene-1,4-diamine
CID 54902992
(5-bromo-2-methylphenyl)hydrazine;hydrochloride
CID 22279963
2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437248
2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436739
2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436588
1-N-(5-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 43805872
2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436829

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436693) is 2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine is Cc1ccc(Br)cc1Nc1nnc(N)o1.
What is the InChIKey of 2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is YUUBFGSMSYVLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-5-2-3-6(10)4-7(5)12-9-14-13-8(11)15-9/h2-4H,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 269.10 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2-methylphenyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).