2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

C14H18ClN3O2 — CID 57071338

IUPAC2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC/N=N/c1ccc(CN2OCC(C)(C)C2=O)c(Cl)c1
InChIInChI=1S/C14H18ClN3O2/c1-4-16-17-11-6-5-10(12(15)7-11)8-18-13(19)14(2,3)9-20-18/h5-7H,4,8-9H2,1-3H3/b17-16+
InChIKeyDVNZXZLXVQWQNC-WUKNDPDISA-N
MW295.77 g/mol
LogP3.74
Rot. Bonds4

About 2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 57071338) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID57071338
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC/N=N/c1ccc(CN2OCC(C)(C)C2=O)c(Cl)c1
InChIInChI=1S/C14H18ClN3O2/c1-4-16-17-11-6-5-10(12(15)7-11)8-18-13(19)14(2,3)9-20-18/h5-7H,4,8-9H2,1-3H3/b17-16+
InChIKeyDVNZXZLXVQWQNC-WUKNDPDISA-N
XLogP3.74
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.74
H-Bond Donors ≤ 50
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 2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (CID 57071338) is 2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is CC/N=N/c1ccc(CN2OCC(C)(C)C2=O)c(Cl)c1.
What is the InChIKey of 2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is DVNZXZLXVQWQNC-WUKNDPDISA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-4-16-17-11-6-5-10(12(15)7-11)8-18-13(19)14(2,3)9-20-18/h5-7H,4,8-9H2,1-3H3/b17-16+.
What are the key properties of 2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 295.77 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(ethyldiazenyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 57071338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).