[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene

C13H16ClN3O — CID 15564650

IUPAC[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene
SMILESCC(C)/N=N/C1(C)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C13H16ClN3O/c1-9(2)15-17-13(3)8-12(16-18-13)10-4-6-11(14)7-5-10/h4-7,9H,8H2,1-3H3/b17-15+
InChIKeyZWRSLMWZALGLTH-BMRADRMJSA-N
MW265.74 g/mol
LogP4.04
Rot. Bonds3

About [3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene

[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene (PubChem CID 15564650) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene
PubChem CID15564650
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene
SMILESCC(C)/N=N/C1(C)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C13H16ClN3O/c1-9(2)15-17-13(3)8-12(16-18-13)10-4-6-11(14)7-5-10/h4-7,9H,8H2,1-3H3/b17-15+
InChIKeyZWRSLMWZALGLTH-BMRADRMJSA-N
XLogP4.04
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 54.04
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'}

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene?
The IUPAC name of [3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene (CID 15564650) is [3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene.
What is the SMILES notation for [3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene?
The canonical SMILES for [3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene is CC(C)/N=N/C1(C)CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of [3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene?
The InChIKey is ZWRSLMWZALGLTH-BMRADRMJSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9(2)15-17-13(3)8-12(16-18-13)10-4-6-11(14)7-5-10/h4-7,9H,8H2,1-3H3/b17-15+.
What are the key properties of [3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene?
[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene has a molecular weight of 265.74 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-propan-2-yldiazene is sourced from PubChem (CID 15564650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).