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

C24H22F3N5O — CID 134235886

IUPAC[4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
SMILESCCC1CN(c2ccc(/N=N/c3ccc(/N=N/c4ccc(C(F)(F)F)cc4)cc3)cc2)CO1
InChIInChI=1S/C24H22F3N5O/c1-2-23-15-32(16-33-23)22-13-11-21(12-14-22)31-30-20-9-7-19(8-10-20)29-28-18-5-3-17(4-6-18)24(25,26)27/h3-14,23H,2,15-16H2,1H3/b29-28+,31-30+
InChIKeyXNONVBDVSPDKMY-DUJDKOHPSA-N
MW453.47 g/mol
LogP8.11
Rot. Bonds6

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

[4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene (PubChem CID 134235886) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is [4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene.

Molecular Properties

Compound Name[4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
PubChem CID134235886
Molecular FormulaC24H22F3N5O
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name[4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
SMILESCCC1CN(c2ccc(/N=N/c3ccc(/N=N/c4ccc(C(F)(F)F)cc4)cc3)cc2)CO1
InChIInChI=1S/C24H22F3N5O/c1-2-23-15-32(16-33-23)22-13-11-21(12-14-22)31-30-20-9-7-19(8-10-20)29-28-18-5-3-17(4-6-18)24(25,26)27/h3-14,23H,2,15-16H2,1H3/b29-28+,31-30+
InChIKeyXNONVBDVSPDKMY-DUJDKOHPSA-N
XLogP8.11
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.47
LogP ≤ 58.11
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-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The IUPAC name of [4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene (CID 134235886) is [4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene.
What is the SMILES notation for [4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The canonical SMILES for [4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene is CCC1CN(c2ccc(/N=N/c3ccc(/N=N/c4ccc(C(F)(F)F)cc4)cc3)cc2)CO1.
What is the InChIKey of [4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
The InChIKey is XNONVBDVSPDKMY-DUJDKOHPSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-2-23-15-32(16-33-23)22-13-11-21(12-14-22)31-30-20-9-7-19(8-10-20)29-28-18-5-3-17(4-6-18)24(25,26)27/h3-14,23H,2,15-16H2,1H3/b29-28+,31-30+.
What are the key properties of [4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene?
[4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene has a molecular weight of 453.47 g/mol, XLogP of 8.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1,3-oxazolidin-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene is sourced from PubChem (CID 134235886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).