[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

C20H15F3N2O4 — CID 86956358

IUPAC[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
SMILESCc1noc(COc2ccc(OC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)n1
InChIInChI=1S/C20H15F3N2O4/c1-13-24-18(29-25-13)12-27-16-6-8-17(9-7-16)28-19(26)10-5-14-3-2-4-15(11-14)20(21,22)23/h2-11H,12H2,1H3/b10-5+
InChIKeyKWVSBDZHENXZTD-BJMVGYQFSA-N
MW404.34 g/mol
LogP4.59
Rot. Bonds6

About [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate (PubChem CID 86956358) has the molecular formula C20H15F3N2O4 and a molecular weight of 404.34 g/mol. Its IUPAC name is [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
PubChem CID86956358
Molecular FormulaC20H15F3N2O4
Molecular Weight404.34 g/mol
Exact Mass404.10
IUPAC Name[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
SMILESCc1noc(COc2ccc(OC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)n1
InChIInChI=1S/C20H15F3N2O4/c1-13-24-18(29-25-13)12-27-16-6-8-17(9-7-16)28-19(26)10-5-14-3-2-4-15(11-14)20(21,22)23/h2-11H,12H2,1H3/b10-5+
InChIKeyKWVSBDZHENXZTD-BJMVGYQFSA-N
XLogP4.59
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

(E)-3-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-enoic acid
CID 29018302
(4-acetylphenyl) (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 2666962
(4-cyanophenyl) (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5353230
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 32765448
[3-(2-acetyloxyacetyl)oxyphenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 91732673
butyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 531643
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
methyl 2-methyl-5-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]oxymethyl]furan-3-carboxylate
CID 7967729
(2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 3560338
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 78538027
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The IUPAC name of [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate (CID 86956358) is [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate.
What is the SMILES notation for [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The canonical SMILES for [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is Cc1noc(COc2ccc(OC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)n1.
What is the InChIKey of [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The InChIKey is KWVSBDZHENXZTD-BJMVGYQFSA-N. The full InChI is InChI=1S/C20H15F3N2O4/c1-13-24-18(29-25-13)12-27-16-6-8-17(9-7-16)28-19(26)10-5-14-3-2-4-15(11-14)20(21,22)23/h2-11H,12H2,1H3/b10-5+.
What are the key properties of [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate has a molecular weight of 404.34 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 86956358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).