3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole

C22H16F2N2O3 — CID 46044217

IUPAC3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCc1c(F)cccc1F
InChIInChI=1S/C22H16F2N2O3/c1-27-20-12-15(21-25-22(29-26-21)14-6-3-2-4-7-14)10-11-19(20)28-13-16-17(23)8-5-9-18(16)24/h2-12H,13H2,1H3
InChIKeyZDTGUSIWHCXJOA-UHFFFAOYSA-N
MW394.38 g/mol
LogP5.27
Rot. Bonds6

About 3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole

3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 46044217) has the molecular formula C22H16F2N2O3 and a molecular weight of 394.38 g/mol. Its IUPAC name is 3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID46044217
Molecular FormulaC22H16F2N2O3
Molecular Weight394.38 g/mol
Exact Mass394.11
IUPAC Name3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCc1c(F)cccc1F
InChIInChI=1S/C22H16F2N2O3/c1-27-20-12-15(21-25-22(29-26-21)14-6-3-2-4-7-14)10-11-19(20)28-13-16-17(23)8-5-9-18(16)24/h2-12H,13H2,1H3
InChIKeyZDTGUSIWHCXJOA-UHFFFAOYSA-N
XLogP5.27
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289458
5-tert-butyl-3-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,4-oxadiazole
CID 46052916
3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 42851340
N-(2-fluorophenyl)-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267221
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 42851492
3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 83287388
1-[3-methoxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 86992137
2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 46267171
N-cyclohexyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 46267182

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole (CID 46044217) is 3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole is COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCc1c(F)cccc1F.
What is the InChIKey of 3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is ZDTGUSIWHCXJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O3/c1-27-20-12-15(21-25-22(29-26-21)14-6-3-2-4-7-14)10-11-19(20)28-13-16-17(23)8-5-9-18(16)24/h2-12H,13H2,1H3.
What are the key properties of 3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole?
3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 394.38 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 46044217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).