3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide

C17H14N4O2 — CID 16880198

IUPAC3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)on1
InChIInChI=1S/C17H14N4O2/c1-12-11-16(23-21-12)17(22)18-13-7-9-15(10-8-13)20-19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,22)/b20-19+
InChIKeyRYIZLSSDUFUFTO-FMQUCBEESA-N
MW306.32 g/mol
LogP4.65
Rot. Bonds4

About 3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide

3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 16880198) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID16880198
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)on1
InChIInChI=1S/C17H14N4O2/c1-12-11-16(23-21-12)17(22)18-13-7-9-15(10-8-13)20-19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,22)/b20-19+
InChIKeyRYIZLSSDUFUFTO-FMQUCBEESA-N
XLogP4.65
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.65
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide (CID 16880198) is 3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)on1.
What is the InChIKey of 3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RYIZLSSDUFUFTO-FMQUCBEESA-N. The full InChI is InChI=1S/C17H14N4O2/c1-12-11-16(23-21-12)17(22)18-13-7-9-15(10-8-13)20-19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,22)/b20-19+.
What are the key properties of 3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16880198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).