methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate

C11H10N4O4 — CID 139232593

IUPACmethyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate
SMILESCOC(=O)c1ccccc1/N=N/c1c(N)[nH]oc1=O
InChIInChI=1S/C11H10N4O4/c1-18-10(16)6-4-2-3-5-7(6)13-14-8-9(12)15-19-11(8)17/h2-5,15H,12H2,1H3/b14-13+
InChIKeyUJFVPYYXRUIFSR-BUHFOSPRSA-N
MW262.23 g/mol
LogP1.75
Rot. Bonds3

About methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate

methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate (PubChem CID 139232593) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate
PubChem CID139232593
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Namemethyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate
SMILESCOC(=O)c1ccccc1/N=N/c1c(N)[nH]oc1=O
InChIInChI=1S/C11H10N4O4/c1-18-10(16)6-4-2-3-5-7(6)13-14-8-9(12)15-19-11(8)17/h2-5,15H,12H2,1H3/b14-13+
InChIKeyUJFVPYYXRUIFSR-BUHFOSPRSA-N
XLogP1.75
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate 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

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(cyanoamino)methylideneamino]benzoate
CID 12683019
methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate
CID 142488292
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[[(Z)-3-hydroxy-1-methoxy-1-oxobut-2-en-2-yl]diazenyl]benzoate
CID 135515620
methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate
CID 54772698
methyl 2-(2,2-diphenylethylideneamino)benzoate
CID 54471111
methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 137068992
ethyl 2-[[11,17,23-tris[(2-ethoxycarbonylphenyl)diazenyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]diazenyl]benzoate
CID 102469981
methyl 2-[(1-hydroxy-3-oxo-3-phenylprop-1-en-2-yl)diazenyl]benzoate
CID 136870839
methyl 2-[(3-ethoxy-1-hydroxy-3-oxo-1-phenylprop-1-en-2-yl)diazenyl]benzoate
CID 135522208
methyl 2-hydroxybenzoate;urea
CID 174888687

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate?
The IUPAC name of methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate (CID 139232593) is methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate.
What is the SMILES notation for methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate?
The canonical SMILES for methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate is COC(=O)c1ccccc1/N=N/c1c(N)[nH]oc1=O.
What is the InChIKey of methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate?
The InChIKey is UJFVPYYXRUIFSR-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-18-10(16)6-4-2-3-5-7(6)13-14-8-9(12)15-19-11(8)17/h2-5,15H,12H2,1H3/b14-13+.
What are the key properties of methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate?
methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate has a molecular weight of 262.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzoate is sourced from PubChem (CID 139232593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).