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

C29H26F2N4O2 — CID 74396066

IUPAC5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1cc(C=CC2=NOC(C)(c3ccc(F)cc3)N2Cc2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C29H26F2N4O2/c1-20-17-34(19-32-20)26-14-6-21(16-27(26)36-3)7-15-28-33-37-29(2,23-8-12-25(31)13-9-23)35(28)18-22-4-10-24(30)11-5-22/h4-17,19H,18H2,1-3H3
InChIKeyVJTAWTBAZXHMNM-UHFFFAOYSA-N
MW500.55 g/mol
LogP6.20
Rot. Bonds7

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

5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 74396066) has the molecular formula C29H26F2N4O2 and a molecular weight of 500.55 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID74396066
Molecular FormulaC29H26F2N4O2
Molecular Weight500.55 g/mol
Exact Mass500.20
IUPAC Name5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1cc(C=CC2=NOC(C)(c3ccc(F)cc3)N2Cc2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C29H26F2N4O2/c1-20-17-34(19-32-20)26-14-6-21(16-27(26)36-3)7-15-28-33-37-29(2,23-8-12-25(31)13-9-23)35(28)18-22-4-10-24(30)11-5-22/h4-17,19H,18H2,1-3H3
InChIKeyVJTAWTBAZXHMNM-UHFFFAOYSA-N
XLogP6.20
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole
CID 25144854
5-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4-(3-methylbutyl)-1,2,4-oxadiazole
CID 74396155
5-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4-(3-methylbutyl)-1,2,4-oxadiazole
CID 25145267
4-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole
CID 70282682
5-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 25145407
8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-[1,2,4]oxadiazolo[5,4-c][1,4]oxazine
CID 74389638
3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-[(4-methoxyphenyl)methyl]spiro[1,2,4-oxadiazole-5,3'-1,2-dihydroindene]
CID 59502153
9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine
CID 25142009
2-[3-[1-bromo-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-(3,5-difluorophenyl)-5-methyl-1,2,4-oxadiazol-4-yl]ethanol
CID 76798139
3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-10b-methyl-5,6-dihydro-[1,2,4]oxadiazolo[5,4-a]isoquinoline
CID 74389987
4-[4-(2-hydroxyethyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazol-5-yl]cyclohexa-2,4-diene-1-carbonitrile
CID 70223684
8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one
CID 25141492

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole (CID 74396066) is 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole is COc1cc(C=CC2=NOC(C)(c3ccc(F)cc3)N2Cc2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is VJTAWTBAZXHMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N4O2/c1-20-17-34(19-32-20)26-14-6-21(16-27(26)36-3)7-15-28-33-37-29(2,23-8-12-25(31)13-9-23)35(28)18-22-4-10-24(30)11-5-22/h4-17,19H,18H2,1-3H3.
What are the key properties of 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole?
5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 500.55 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 74396066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).