phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene

C21H19N3O — CID 132583061

IUPACphenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene
SMILESc1ccc(/N=N/c2ccc(N3COCC3c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19N3O/c1-3-7-17(8-4-1)21-15-25-16-24(21)20-13-11-19(12-14-20)23-22-18-9-5-2-6-10-18/h1-14,21H,15-16H2/b23-22+
InChIKeyYGUCNRYNKKSHDQ-GHVJWSGMSA-N
MW329.40 g/mol
LogP5.64
Rot. Bonds4

About phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene

phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene (PubChem CID 132583061) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene.

Molecular Properties

Compound Namephenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene
PubChem CID132583061
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Namephenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene
SMILESc1ccc(/N=N/c2ccc(N3COCC3c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19N3O/c1-3-7-17(8-4-1)21-15-25-16-24(21)20-13-11-19(12-14-20)23-22-18-9-5-2-6-10-18/h1-14,21H,15-16H2/b23-22+
InChIKeyYGUCNRYNKKSHDQ-GHVJWSGMSA-N
XLogP5.64
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.64
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 phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene?
The IUPAC name of phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene (CID 132583061) is phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene.
What is the SMILES notation for phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene?
The canonical SMILES for phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene is c1ccc(/N=N/c2ccc(N3COCC3c3ccccc3)cc2)cc1.
What is the InChIKey of phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene?
The InChIKey is YGUCNRYNKKSHDQ-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H19N3O/c1-3-7-17(8-4-1)21-15-25-16-24(21)20-13-11-19(12-14-20)23-22-18-9-5-2-6-10-18/h1-14,21H,15-16H2/b23-22+.
What are the key properties of phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene?
phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene has a molecular weight of 329.40 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene is sourced from PubChem (CID 132583061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).