[4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene

C25H24F3N5O — CID 134235902

IUPAC[4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
SMILESCC(C)C1CN(c2ccc(/N=N/c3ccc(/N=N/c4ccc(C(F)(F)F)cc4)cc3)cc2)CO1
InChIInChI=1S/C25H24F3N5O/c1-17(2)24-15-33(16-34-24)23-13-11-22(12-14-23)32-31-21-9-7-20(8-10-21)30-29-19-5-3-18(4-6-19)25(26,27)28/h3-14,17,24H,15-16H2,1-2H3/b30-29+,32-31+
InChIKeyBMXWLDBXHJZKKG-PNBBGTCESA-N
MW467.50 g/mol
LogP8.35
Rot. Bonds6

About [4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene

[4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene (PubChem CID 134235902) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is [4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene.

Molecular Properties

Compound Name[4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
PubChem CID134235902
Molecular FormulaC25H24F3N5O
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name[4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
SMILESCC(C)C1CN(c2ccc(/N=N/c3ccc(/N=N/c4ccc(C(F)(F)F)cc4)cc3)cc2)CO1
InChIInChI=1S/C25H24F3N5O/c1-17(2)24-15-33(16-34-24)23-13-11-22(12-14-23)32-31-21-9-7-20(8-10-21)30-29-19-5-3-18(4-6-19)25(26,27)28/h3-14,17,24H,15-16H2,1-2H3/b30-29+,32-31+
InChIKeyBMXWLDBXHJZKKG-PNBBGTCESA-N
XLogP8.35
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 58.35
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-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The IUPAC name of [4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene (CID 134235902) is [4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene.
What is the SMILES notation for [4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The canonical SMILES for [4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene is CC(C)C1CN(c2ccc(/N=N/c3ccc(/N=N/c4ccc(C(F)(F)F)cc4)cc3)cc2)CO1.
What is the InChIKey of [4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The InChIKey is BMXWLDBXHJZKKG-PNBBGTCESA-N. The full InChI is InChI=1S/C25H24F3N5O/c1-17(2)24-15-33(16-34-24)23-13-11-22(12-14-23)32-31-21-9-7-20(8-10-21)30-29-19-5-3-18(4-6-19)25(26,27)28/h3-14,17,24H,15-16H2,1-2H3/b30-29+,32-31+.
What are the key properties of [4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
[4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene has a molecular weight of 467.50 g/mol, XLogP of 8.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-propan-2-yl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene is sourced from PubChem (CID 134235902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).