5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C22H17F3N4O2 — CID 25004783

IUPAC5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1cc(/C=C/c2nc(-c3ccc(C(F)(F)F)cc3)no2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H17F3N4O2/c1-14-12-29(13-26-14)18-9-3-15(11-19(18)30-2)4-10-20-27-21(28-31-20)16-5-7-17(8-6-16)22(23,24)25/h3-13H,1-2H3/b10-4+
InChIKeyWFLZHPGWQSCBQY-ONNFQVAWSA-N
MW426.40 g/mol
LogP5.43
Rot. Bonds5

About 5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 25004783) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID25004783
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1cc(/C=C/c2nc(-c3ccc(C(F)(F)F)cc3)no2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H17F3N4O2/c1-14-12-29(13-26-14)18-9-3-15(11-19(18)30-2)4-10-20-27-21(28-31-20)16-5-7-17(8-6-16)22(23,24)25/h3-13H,1-2H3/b10-4+
InChIKeyWFLZHPGWQSCBQY-ONNFQVAWSA-N
XLogP5.43
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.40
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole
CID 68717820
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-5-[2-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 66857694
6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole
CID 25004450
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 68717315
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-1,2,4-triazole
CID 67607404
(7R)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-[2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 162556538
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 153216978
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-methylprop-2-enamide
CID 142686276
N'-[1-(4-fluorophenyl)ethyl]-N-methoxy-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enimidamide
CID 74401540
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 171679924

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 25004783) is 5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is COc1cc(/C=C/c2nc(-c3ccc(C(F)(F)F)cc3)no2)ccc1-n1cnc(C)c1.
What is the InChIKey of 5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is WFLZHPGWQSCBQY-ONNFQVAWSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-14-12-29(13-26-14)18-9-3-15(11-19(18)30-2)4-10-20-27-21(28-31-20)16-5-7-17(8-6-16)22(23,24)25/h3-13H,1-2H3/b10-4+.
What are the key properties of 5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 426.40 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25004783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).