3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one

C11H10N4O5 — CID 136714635

IUPAC3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one
SMILESCOCc1[nH]oc(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O5/c1-19-6-9-10(11(16)20-14-9)13-12-7-2-4-8(5-3-7)15(17)18/h2-5,14H,6H2,1H3/b13-12+
InChIKeyISOLXUXEDOUGKY-OUKQBFOZSA-N
MW278.22 g/mol
LogP2.44
Rot. Bonds5

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

3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one (PubChem CID 136714635) has the molecular formula C11H10N4O5 and a molecular weight of 278.22 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one
PubChem CID136714635
Molecular FormulaC11H10N4O5
Molecular Weight278.22 g/mol
Exact Mass278.07
IUPAC Name3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one
SMILESCOCc1[nH]oc(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O5/c1-19-6-9-10(11(16)20-14-9)13-12-7-2-4-8(5-3-7)15(17)18/h2-5,14H,6H2,1H3/b13-12+
InChIKeyISOLXUXEDOUGKY-OUKQBFOZSA-N
XLogP2.44
TPSA123.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one (CID 136714635) is 3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one is COCc1[nH]oc(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one?
The InChIKey is ISOLXUXEDOUGKY-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H10N4O5/c1-19-6-9-10(11(16)20-14-9)13-12-7-2-4-8(5-3-7)15(17)18/h2-5,14H,6H2,1H3/b13-12+.
What are the key properties of 3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one?
3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one has a molecular weight of 278.22 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one is sourced from PubChem (CID 136714635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).