1,3-benzoxazol-2-yl(methyl)diazene

C8H7N3O — CID 123718607

IUPAC1,3-benzoxazol-2-yl(methyl)diazene
SMILESC/N=N/c1nc2ccccc2o1
InChIInChI=1S/C8H7N3O/c1-9-11-8-10-6-4-2-3-5-7(6)12-8/h2-5H,1H3/b11-9+
InChIKeyPZOJAXZHJPJMMR-PKNBQFBNSA-N
MW161.16 g/mol
LogP2.54
Rot. Bonds1

About 1,3-benzoxazol-2-yl(methyl)diazene

1,3-benzoxazol-2-yl(methyl)diazene (PubChem CID 123718607) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 1,3-benzoxazol-2-yl(methyl)diazene.

Molecular Properties

Compound Name1,3-benzoxazol-2-yl(methyl)diazene
PubChem CID123718607
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name1,3-benzoxazol-2-yl(methyl)diazene
SMILESC/N=N/c1nc2ccccc2o1
InChIInChI=1S/C8H7N3O/c1-9-11-8-10-6-4-2-3-5-7(6)12-8/h2-5H,1H3/b11-9+
InChIKeyPZOJAXZHJPJMMR-PKNBQFBNSA-N
XLogP2.54
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1,3-benzoxazol-2-yl(methyl)diazene 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

1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene
CID 6712918
1,3-benzoxazol-2-yl(trimethyl)silane
CID 12934592
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane
CID 58835908
N-[N'-(1,3-benzoxazol-2-yl)-N-propanoylcarbamimidoyl]propanamide
CID 21233415
(E)-N-[N'-(1,3-benzoxazol-2-yl)carbamimidoyl]but-2-enamide
CID 132962748
2-ethyl-1,3-benzoxazole
CID 23239
2-(3-methylpentan-3-yl)-1,3-benzoxazole
CID 70835474
2-[bromo(difluoro)methyl]-1,3-benzoxazole
CID 10681971
2-but-2-enyl-1,3-benzoxazole
CID 86020978
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
2-methyl-1,3-benzoxazole;prop-1-ene
CID 178101004

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-yl(methyl)diazene?
The IUPAC name of 1,3-benzoxazol-2-yl(methyl)diazene (CID 123718607) is 1,3-benzoxazol-2-yl(methyl)diazene.
What is the SMILES notation for 1,3-benzoxazol-2-yl(methyl)diazene?
The canonical SMILES for 1,3-benzoxazol-2-yl(methyl)diazene is C/N=N/c1nc2ccccc2o1.
What is the InChIKey of 1,3-benzoxazol-2-yl(methyl)diazene?
The InChIKey is PZOJAXZHJPJMMR-PKNBQFBNSA-N. The full InChI is InChI=1S/C8H7N3O/c1-9-11-8-10-6-4-2-3-5-7(6)12-8/h2-5H,1H3/b11-9+.
What are the key properties of 1,3-benzoxazol-2-yl(methyl)diazene?
1,3-benzoxazol-2-yl(methyl)diazene has a molecular weight of 161.16 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-2-yl(methyl)diazene is sourced from PubChem (CID 123718607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).