4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one

C11H11N3O3 — CID 136863241

IUPAC4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
SMILESCOc1ccccc1/N=N/c1c(C)[nH]oc1=O
InChIInChI=1S/C11H11N3O3/c1-7-10(11(15)17-14-7)13-12-8-5-3-4-6-9(8)16-2/h3-6,14H,1-2H3/b13-12+
InChIKeyWDWKKELKGCQLTQ-OUKQBFOZSA-N
MW233.23 g/mol
LogP2.70
Rot. Bonds3

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

4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one (PubChem CID 136863241) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
PubChem CID136863241
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
SMILESCOc1ccccc1/N=N/c1c(C)[nH]oc1=O
InChIInChI=1S/C11H11N3O3/c1-7-10(11(15)17-14-7)13-12-8-5-3-4-6-9(8)16-2/h3-6,14H,1-2H3/b13-12+
InChIKeyWDWKKELKGCQLTQ-OUKQBFOZSA-N
XLogP2.70
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
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

bis(2-methoxyphenyl)diazene
CID 11947
7-methoxy-1H-2,1-benzoxazol-3-one
CID 105432561
(3,5-dimethyl-2-methylsulfanylphenyl)-(2-methoxyphenyl)diazene
CID 21342477
(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555
4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 5238721
4-[(2-methoxyphenyl)diazenyl]-N,N-dimethylaniline
CID 18161
2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide
CID 674777
1-methoxy-2-(sulfinylamino)benzene
CID 598052
3-[(2-methoxyphenyl)diazenyl]-5-[2-[3-[(2-methoxyphenyl)diazenyl]-4-methyl-2,6-dioxo-3H-pyridin-5-yl]ethyl]-4-methyl-3H-pyridine-2,6-dione
CID 87517731
1-butyl-2-hydroxy-5-[(2-methoxyphenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835797
N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide
CID 136634815
4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one
CID 135496555

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one (CID 136863241) is 4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one is COc1ccccc1/N=N/c1c(C)[nH]oc1=O.
What is the InChIKey of 4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
The InChIKey is WDWKKELKGCQLTQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7-10(11(15)17-14-7)13-12-8-5-3-4-6-9(8)16-2/h3-6,14H,1-2H3/b13-12+.
What are the key properties of 4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one has a molecular weight of 233.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 136863241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).