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

C22H18F3N5O — CID 134235868

IUPAC[4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOC4)cc3)cc2)cc1
InChIInChI=1S/C22H18F3N5O/c23-22(24,25)16-1-3-17(4-2-16)26-27-18-5-7-19(8-6-18)28-29-20-9-11-21(12-10-20)30-13-14-31-15-30/h1-12H,13-15H2/b27-26+,29-28+
InChIKeyDRFGYSQJJBTPEW-ZDXBJJIESA-N
MW425.41 g/mol
LogP7.33
Rot. Bonds5

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

[4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene (PubChem CID 134235868) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is [4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene.

Molecular Properties

Compound Name[4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
PubChem CID134235868
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC Name[4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOC4)cc3)cc2)cc1
InChIInChI=1S/C22H18F3N5O/c23-22(24,25)16-1-3-17(4-2-16)26-27-18-5-7-19(8-6-18)28-29-20-9-11-21(12-10-20)30-13-14-31-15-30/h1-12H,13-15H2/b27-26+,29-28+
InChIKeyDRFGYSQJJBTPEW-ZDXBJJIESA-N
XLogP7.33
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The IUPAC name of [4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene (CID 134235868) is [4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene.
What is the SMILES notation for [4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The canonical SMILES for [4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene is FC(F)(F)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOC4)cc3)cc2)cc1.
What is the InChIKey of [4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The InChIKey is DRFGYSQJJBTPEW-ZDXBJJIESA-N. The full InChI is InChI=1S/C22H18F3N5O/c23-22(24,25)16-1-3-17(4-2-16)26-27-18-5-7-19(8-6-18)28-29-20-9-11-21(12-10-20)30-13-14-31-15-30/h1-12H,13-15H2/b27-26+,29-28+.
What are the key properties of [4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
[4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene has a molecular weight of 425.41 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene is sourced from PubChem (CID 134235868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).