2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide

C11H9ClN4O3 — CID 674777

IUPAC2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide
SMILESCc1[nH]oc(=O)c1/N=N/c1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C11H9ClN4O3/c1-5-9(11(18)19-16-5)15-14-6-2-3-8(12)7(4-6)10(13)17/h2-4,16H,1H3,(H2,13,17)/b15-14+
InChIKeyKIXGNZHUZCHDGH-CCEZHUSRSA-N
MW280.67 g/mol
LogP2.44
Rot. Bonds3

About 2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide

2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide (PubChem CID 674777) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide
PubChem CID674777
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide
SMILESCc1[nH]oc(=O)c1/N=N/c1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C11H9ClN4O3/c1-5-9(11(18)19-16-5)15-14-6-2-3-8(12)7(4-6)10(13)17/h2-4,16H,1H3,(H2,13,17)/b15-14+
InChIKeyKIXGNZHUZCHDGH-CCEZHUSRSA-N
XLogP2.44
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide?
The IUPAC name of 2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide (CID 674777) is 2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide?
The canonical SMILES for 2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide is Cc1[nH]oc(=O)c1/N=N/c1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide?
The InChIKey is KIXGNZHUZCHDGH-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-5-9(11(18)19-16-5)15-14-6-2-3-8(12)7(4-6)10(13)17/h2-4,16H,1H3,(H2,13,17)/b15-14+.
What are the key properties of 2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide?
2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide has a molecular weight of 280.67 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)diazenyl]benzamide is sourced from PubChem (CID 674777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).