4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one

C10H7Cl2N3O2 — CID 1219172

IUPAC4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
SMILESCc1[nH]oc(=O)c1/N=N/c1c(Cl)cccc1Cl
InChIInChI=1S/C10H7Cl2N3O2/c1-5-8(10(16)17-15-5)13-14-9-6(11)3-2-4-7(9)12/h2-4,15H,1H3/b14-13+
InChIKeyLSBJRNARCPSEFE-BUHFOSPRSA-N
MW272.09 g/mol
LogP4.00
Rot. Bonds2

About 4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one

4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one (PubChem CID 1219172) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
PubChem CID1219172
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
SMILESCc1[nH]oc(=O)c1/N=N/c1c(Cl)cccc1Cl
InChIInChI=1S/C10H7Cl2N3O2/c1-5-8(10(16)17-15-5)13-14-9-6(11)3-2-4-7(9)12/h2-4,15H,1H3/b14-13+
InChIKeyLSBJRNARCPSEFE-BUHFOSPRSA-N
XLogP4.00
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one (CID 1219172) is 4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one is Cc1[nH]oc(=O)c1/N=N/c1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
The InChIKey is LSBJRNARCPSEFE-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c1-5-8(10(16)17-15-5)13-14-9-6(11)3-2-4-7(9)12/h2-4,15H,1H3/b14-13+.
What are the key properties of 4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one has a molecular weight of 272.09 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 1219172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).