3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one

C10H10N4O2 — CID 137304178

IUPAC3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one
SMILESCc1ccc(/N=N/c2c(N)[nH]oc2=O)cc1
InChIInChI=1S/C10H10N4O2/c1-6-2-4-7(5-3-6)12-13-8-9(11)14-16-10(8)15/h2-5,14H,11H2,1H3/b13-12+
InChIKeyTUOKXOPKEFRGLD-OUKQBFOZSA-N
MW218.22 g/mol
LogP2.27
Rot. Bonds2

About 3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one

3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one (PubChem CID 137304178) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one
PubChem CID137304178
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one
SMILESCc1ccc(/N=N/c2c(N)[nH]oc2=O)cc1
InChIInChI=1S/C10H10N4O2/c1-6-2-4-7(5-3-6)12-13-8-9(11)14-16-10(8)15/h2-5,14H,11H2,1H3/b13-12+
InChIKeyTUOKXOPKEFRGLD-OUKQBFOZSA-N
XLogP2.27
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-4-(2-phenyldiazenyl)-5(2H)-isoxazolone
CID 900857
3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one
CID 162739694
(E)-3-hydroxy-2-[(4-methylphenyl)diazenyl]but-2-enoic acid
CID 155545953
(4Z)-3-methyl-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-1,2-oxazol-5(4H)-one
CID 135421476
4,5-Isoxazoledione, 3-methyl-, 4-(o-tolylhydrazone)
CID 541867
3-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]-2H-1,2-oxazol-5-one
CID 137304058
3-Hydroxy-2-[(4-methylphenyl)diazenyl]but-2-enoic acid
CID 172040721
3-Methyl-4-[(4-methylphenyl)diazenyl]hexa-2,4-dienedioic acid
CID 178244236
3-Phenyl-4,5-isoxazoledione 4-[(4-methylphenyl)hydrazone]
CID 5101858
4,5-Isoxazoledione, 3-phenyl-, 4-(phenylhydrazone)
CID 561619
4,5-Isoxazoledione, 3-methyl-, 4-(2,4-xylylhydrazone)
CID 576561
Benzenediazonium, 4-methyl-, acetate
CID 12286824

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one?
The IUPAC name of 3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one (CID 137304178) is 3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one is Cc1ccc(/N=N/c2c(N)[nH]oc2=O)cc1.
What is the InChIKey of 3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one?
The InChIKey is TUOKXOPKEFRGLD-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-2-4-7(5-3-6)12-13-8-9(11)14-16-10(8)15/h2-5,14H,11H2,1H3/b13-12+.
What are the key properties of 3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one?
3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one has a molecular weight of 218.22 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one is sourced from PubChem (CID 137304178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).