3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide

C14H16N4O3 — CID 101424594

IUPAC3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide
SMILESCc1cc(/N=N/C(C(=O)Nc2ccccc2)C(C)O)no1
InChIInChI=1S/C14H16N4O3/c1-9-8-12(18-21-9)16-17-13(10(2)19)14(20)15-11-6-4-3-5-7-11/h3-8,10,13,19H,1-2H3,(H,15,20)/b17-16+
InChIKeyPPWFSCIMPHWYNJ-WUKNDPDISA-N
MW288.31 g/mol
LogP2.45
Rot. Bonds5

About 3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide

3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide (PubChem CID 101424594) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide
PubChem CID101424594
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide
SMILESCc1cc(/N=N/C(C(=O)Nc2ccccc2)C(C)O)no1
InChIInChI=1S/C14H16N4O3/c1-9-8-12(18-21-9)16-17-13(10(2)19)14(20)15-11-6-4-3-5-7-11/h3-8,10,13,19H,1-2H3,(H,15,20)/b17-16+
InChIKeyPPWFSCIMPHWYNJ-WUKNDPDISA-N
XLogP2.45
TPSA100.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide?
The IUPAC name of 3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide (CID 101424594) is 3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide?
The canonical SMILES for 3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide is Cc1cc(/N=N/C(C(=O)Nc2ccccc2)C(C)O)no1.
What is the InChIKey of 3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide?
The InChIKey is PPWFSCIMPHWYNJ-WUKNDPDISA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-8-12(18-21-9)16-17-13(10(2)19)14(20)15-11-6-4-3-5-7-11/h3-8,10,13,19H,1-2H3,(H,15,20)/b17-16+.
What are the key properties of 3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide?
3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide has a molecular weight of 288.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-N-phenylbutanamide is sourced from PubChem (CID 101424594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).