2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol

C26H26F3N5O4 — CID 11591829

IUPAC2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1CCCCc1ccc(OCc2coc(/C=C/c3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C26H26F3N5O4/c27-26(28,29)38-23-12-7-20(8-13-23)9-14-25-30-21(18-37-25)17-36-22-10-5-19(6-11-22)3-1-2-4-24-31-32-33-34(24)15-16-35/h5-14,18,35H,1-4,15-17H2/b14-9+
InChIKeyXSYYDOVBPXGSML-NTEUORMPSA-N
MW529.52 g/mol
LogP4.87
Rot. Bonds13

About 2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol

2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol (PubChem CID 11591829) has the molecular formula C26H26F3N5O4 and a molecular weight of 529.52 g/mol. Its IUPAC name is 2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol
PubChem CID11591829
Molecular FormulaC26H26F3N5O4
Molecular Weight529.52 g/mol
Exact Mass529.19
IUPAC Name2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1CCCCc1ccc(OCc2coc(/C=C/c3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C26H26F3N5O4/c27-26(28,29)38-23-12-7-20(8-13-23)9-14-25-30-21(18-37-25)17-36-22-10-5-19(6-11-22)3-1-2-4-24-31-32-33-34(24)15-16-35/h5-14,18,35H,1-4,15-17H2/b14-9+
InChIKeyXSYYDOVBPXGSML-NTEUORMPSA-N
XLogP4.87
TPSA108.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol (CID 11591829) is 2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol is OCCn1nnnc1CCCCc1ccc(OCc2coc(/C=C/c3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol?
The InChIKey is XSYYDOVBPXGSML-NTEUORMPSA-N. The full InChI is InChI=1S/C26H26F3N5O4/c27-26(28,29)38-23-12-7-20(8-13-23)9-14-25-30-21(18-37-25)17-36-22-10-5-19(6-11-22)3-1-2-4-24-31-32-33-34(24)15-16-35/h5-14,18,35H,1-4,15-17H2/b14-9+.
What are the key properties of 2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol?
2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol has a molecular weight of 529.52 g/mol, XLogP of 4.87, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[4-[[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol is sourced from PubChem (CID 11591829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).