4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one

C18H12N4O4 — CID 165341158

IUPAC4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one
SMILESO=c1o[nH]c(-c2ccccc2)c1/N=N/c1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C18H12N4O4/c23-17-15(13(21-25-17)11-7-3-1-4-8-11)19-20-16-14(22-26-18(16)24)12-9-5-2-6-10-12/h1-10,21-22H/b20-19+
InChIKeyWIRRNWXATKMNEU-FMQUCBEESA-N
MW348.32 g/mol
LogP4.00
Rot. Bonds4

About 4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one

4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one (PubChem CID 165341158) has the molecular formula C18H12N4O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is 4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one
PubChem CID165341158
Molecular FormulaC18H12N4O4
Molecular Weight348.32 g/mol
Exact Mass348.09
IUPAC Name4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one
SMILESO=c1o[nH]c(-c2ccccc2)c1/N=N/c1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C18H12N4O4/c23-17-15(13(21-25-17)11-7-3-1-4-8-11)19-20-16-14(22-26-18(16)24)12-9-5-2-6-10-12/h1-10,21-22H/b20-19+
InChIKeyWIRRNWXATKMNEU-FMQUCBEESA-N
XLogP4.00
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-Phenylmaleisoimide
CID 568654
(4Z)-3-Phenylisoxazole-4,5-dione 4-oxime
CID 234175
3-Phenyl-4-methyl-5-hydroxy-isoxazole
CID 576162
3-phenyl-4-[(E)-3-phenylprop-2-enyl]-2H-1,2-oxazol-5-one
CID 12194221
4-[(3,5-dimethylpyrazol-4-ylidene)amino]-3-phenyl-2H-1,2-oxazol-5-one
CID 12439057
4-[(3-methyl-5-phenylpyrazol-4-ylidene)amino]-3-phenyl-2H-1,2-oxazol-5-one
CID 12439059
[1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate
CID 2165062
3-Phenyl-4,5-isoxazoledione 4-[(4-methylphenyl)hydrazone]
CID 5101858
4,5-Isoxazoledione, 3-phenyl-, 4-(phenylhydrazone)
CID 561619
ethane;4-methyl-3-phenyl-2H-1,2-oxazol-5-one
CID 91543375
4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one
CID 123578795
4-amino-3-benzyl-2H-1,2-oxazol-5-one
CID 154256799

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one (CID 165341158) is 4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one is O=c1o[nH]c(-c2ccccc2)c1/N=N/c1c(-c2ccccc2)[nH]oc1=O.
What is the InChIKey of 4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one?
The InChIKey is WIRRNWXATKMNEU-FMQUCBEESA-N. The full InChI is InChI=1S/C18H12N4O4/c23-17-15(13(21-25-17)11-7-3-1-4-8-11)19-20-16-14(22-26-18(16)24)12-9-5-2-6-10-12/h1-10,21-22H/b20-19+.
What are the key properties of 4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one?
4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one has a molecular weight of 348.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 165341158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).