2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol

C22H20F3NO4 — CID 139970335

IUPAC2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol
SMILESOCCOCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C22H20F3NO4/c23-22(24,25)18-6-1-16(2-7-18)5-10-21-26-19(15-30-21)14-29-20-8-3-17(4-9-20)13-28-12-11-27/h1-10,15,27H,11-14H2/b10-5+
InChIKeyDVRVOUILGMMUAB-BJMVGYQFSA-N
MW419.40 g/mol
LogP4.95
Rot. Bonds9

About 2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol

2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol (PubChem CID 139970335) has the molecular formula C22H20F3NO4 and a molecular weight of 419.40 g/mol. Its IUPAC name is 2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol.

Molecular Properties

Compound Name2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol
PubChem CID139970335
Molecular FormulaC22H20F3NO4
Molecular Weight419.40 g/mol
Exact Mass419.13
IUPAC Name2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol
SMILESOCCOCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C22H20F3NO4/c23-22(24,25)18-6-1-16(2-7-18)5-10-21-26-19(15-30-21)14-29-20-8-3-17(4-9-20)13-28-12-11-27/h1-10,15,27H,11-14H2/b10-5+
InChIKeyDVRVOUILGMMUAB-BJMVGYQFSA-N
XLogP4.95
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine
CID 142263941
4-[[4-(4-pyridin-2-ylbutyl)phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
CID 139970287
1-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol
CID 175956053
4-[2-[4-(3-pyrimidin-5-ylpropoxy)phenyl]ethyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
CID 139970300
2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol
CID 54126374
1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazole-2-carbaldehyde
CID 22259305
2-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]triazol-4-yl]ethyl N,N-dimethylcarbamate
CID 142575754
tert-butyl N-[2-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]ethyl]carbamate
CID 91992024
methanesulfonic acid;4-[[4-[2-(triazol-1-yl)ethoxymethyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole
CID 11215375
4-[[4-[2-(triazol-1-yl)ethoxymethyl]phenoxy]methyl]-2-[2-[4-(trifluoromethylsulfinyl)phenyl]ethenyl]-1,3-oxazole
CID 69291809
N-[3-[[(Z)-2-aminoethenyl]amino]propyl]-N-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]acetamide
CID 142263923
pentafluoro-[4-[2-[4-[[4-[2-(triazol-1-yl)ethoxymethyl]phenoxy]methyl]-1,3-oxazol-2-yl]ethenyl]phenyl]-λ6-sulfane
CID 173179824

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol?
The IUPAC name of 2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol (CID 139970335) is 2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol.
What is the SMILES notation for 2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol?
The canonical SMILES for 2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol is OCCOCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol?
The InChIKey is DVRVOUILGMMUAB-BJMVGYQFSA-N. The full InChI is InChI=1S/C22H20F3NO4/c23-22(24,25)18-6-1-16(2-7-18)5-10-21-26-19(15-30-21)14-29-20-8-3-17(4-9-20)13-28-12-11-27/h1-10,15,27H,11-14H2/b10-5+.
What are the key properties of 2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol?
2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol has a molecular weight of 419.40 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol is sourced from PubChem (CID 139970335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).