(E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide

C20H16F3N3O3 — CID 71556990

IUPAC(E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H16F3N3O3/c21-20(22,23)19-25-18(26-29-19)15-7-9-16(10-8-15)28-13-12-24-17(27)11-6-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,24,27)/b11-6+
InChIKeyDDPGGEBWCYHTND-IZZDOVSWSA-N
MW403.36 g/mol
LogP3.96
Rot. Bonds7

About (E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide

(E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide (PubChem CID 71556990) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is (E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide
PubChem CID71556990
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name(E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H16F3N3O3/c21-20(22,23)19-25-18(26-29-19)15-7-9-16(10-8-15)28-13-12-24-17(27)11-6-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,24,27)/b11-6+
InChIKeyDDPGGEBWCYHTND-IZZDOVSWSA-N
XLogP3.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[1-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide
CID 78111196
N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide
CID 71558280
3,5-dimethoxy-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]benzamide
CID 71557142
N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]-1H-indole-5-carboxamide
CID 71557310
6-(4-aminophenoxy)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide
CID 71558584
(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide
CID 39585351
[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl] N-(2-methoxyethyl)carbamate
CID 145340160
(E)-N-[2-(3-fluorophenoxy)ethyl]-3-phenylprop-2-enamide
CID 35103917
methyl 4-[(E)-3-oxo-3-(2-phenoxyethylamino)prop-1-enyl]benzoate
CID 26903189
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 46442777
N-(2-phenylsulfanylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86777421

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide (CID 71556990) is (E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide is O=C(/C=C/c1ccccc1)NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of (E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide?
The InChIKey is DDPGGEBWCYHTND-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c21-20(22,23)19-25-18(26-29-19)15-7-9-16(10-8-15)28-13-12-24-17(27)11-6-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,24,27)/b11-6+.
What are the key properties of (E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide?
(E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide has a molecular weight of 403.36 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 71556990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).