(Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine

C25H26F3N3O2 — CID 142263941

IUPAC(Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine
SMILESN/C=C(\N)CCCCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C25H26F3N3O2/c26-25(27,28)20-10-5-19(6-11-20)9-14-24-31-22(17-33-24)16-32-23-12-7-18(8-13-23)3-1-2-4-21(30)15-29/h5-15,17H,1-4,16,29-30H2/b14-9+,21-15-
InChIKeyLFGAUXYFSRNYCO-DKDWZUBTSA-N
MW457.50 g/mol
LogP5.91
Rot. Bonds10

About (Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine

(Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine (PubChem CID 142263941) has the molecular formula C25H26F3N3O2 and a molecular weight of 457.50 g/mol. Its IUPAC name is (Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine
PubChem CID142263941
Molecular FormulaC25H26F3N3O2
Molecular Weight457.50 g/mol
Exact Mass457.20
IUPAC Name(Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine
SMILESN/C=C(\N)CCCCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C25H26F3N3O2/c26-25(27,28)20-10-5-19(6-11-20)9-14-24-31-22(17-33-24)16-32-23-12-7-18(8-13-23)3-1-2-4-21(30)15-29/h5-15,17H,1-4,16,29-30H2/b14-9+,21-15-
InChIKeyLFGAUXYFSRNYCO-DKDWZUBTSA-N
XLogP5.91
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(4-pyridin-2-ylbutyl)phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
CID 139970287
1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazole-2-carbaldehyde
CID 22259305
2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol
CID 139970335
N,N-dimethyl-3-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]propanamide
CID 10209934
4-[2-[4-(3-pyrimidin-5-ylpropoxy)phenyl]ethyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
CID 139970300
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
1,1,1-trifluoro-N-[2-[1-[4-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]ethyl]methanesulfonamide
CID 175069246
ethyl N-propan-2-yl-N-[1-[4-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]triazol-4-yl]carbamate
CID 175062000
2,2,2-trifluoro-N-[2-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]ethyl]ethanesulfonamide
CID 22259308
1-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol
CID 175956053
4-[[4-[4-(1-methyltriazol-4-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole
CID 11670521
2-[5-[4-[4-[[2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]tetrazol-1-yl]ethanol
CID 69343029

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine?
The IUPAC name of (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) is (Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine?
The canonical SMILES for (Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine is N/C=C(\N)CCCCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of (Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine?
The InChIKey is LFGAUXYFSRNYCO-DKDWZUBTSA-N. The full InChI is InChI=1S/C25H26F3N3O2/c26-25(27,28)20-10-5-19(6-11-20)9-14-24-31-22(17-33-24)16-32-23-12-7-18(8-13-23)3-1-2-4-21(30)15-29/h5-15,17H,1-4,16,29-30H2/b14-9+,21-15-.
What are the key properties of (Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine?
(Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine has a molecular weight of 457.50 g/mol, XLogP of 5.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hex-1-ene-1,2-diamine is sourced from PubChem (CID 142263941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).