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

C23H20F3N5O — CID 134235887

IUPAC[4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
SMILESCC1CN(c2ccc(/N=N/c3ccc(/N=N/c4ccc(C(F)(F)F)cc4)cc3)cc2)CO1
InChIInChI=1S/C23H20F3N5O/c1-16-14-31(15-32-16)22-12-10-21(11-13-22)30-29-20-8-6-19(7-9-20)28-27-18-4-2-17(3-5-18)23(24,25)26/h2-13,16H,14-15H2,1H3/b28-27+,30-29+
InChIKeyRVCWRQKHUIPVSE-XOXGWFOHSA-N
MW439.44 g/mol
LogP7.72
Rot. Bonds5

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

[4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene (PubChem CID 134235887) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is [4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene.

Molecular Properties

Compound Name[4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
PubChem CID134235887
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC Name[4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
SMILESCC1CN(c2ccc(/N=N/c3ccc(/N=N/c4ccc(C(F)(F)F)cc4)cc3)cc2)CO1
InChIInChI=1S/C23H20F3N5O/c1-16-14-31(15-32-16)22-12-10-21(11-13-22)30-29-20-8-6-19(7-9-20)28-27-18-4-2-17(3-5-18)23(24,25)26/h2-13,16H,14-15H2,1H3/b28-27+,30-29+
InChIKeyRVCWRQKHUIPVSE-XOXGWFOHSA-N
XLogP7.72
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 57.72
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-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The IUPAC name of [4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene (CID 134235887) is [4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene.
What is the SMILES notation for [4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The canonical SMILES for [4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene is CC1CN(c2ccc(/N=N/c3ccc(/N=N/c4ccc(C(F)(F)F)cc4)cc3)cc2)CO1.
What is the InChIKey of [4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The InChIKey is RVCWRQKHUIPVSE-XOXGWFOHSA-N. The full InChI is InChI=1S/C23H20F3N5O/c1-16-14-31(15-32-16)22-12-10-21(11-13-22)30-29-20-8-6-19(7-9-20)28-27-18-4-2-17(3-5-18)23(24,25)26/h2-13,16H,14-15H2,1H3/b28-27+,30-29+.
What are the key properties of [4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
[4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene has a molecular weight of 439.44 g/mol, XLogP of 7.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene is sourced from PubChem (CID 134235887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).