[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone

C19H18F2N4O4 — CID 78857530

IUPAC[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(Cc2nc(-c3ccccc3OC(F)F)no2)CC1
InChIInChI=1S/C19H18F2N4O4/c20-19(21)28-15-4-2-1-3-14(15)17-22-16(29-23-17)11-24-6-8-25(9-7-24)18(26)13-5-10-27-12-13/h1-5,10,12,19H,6-9,11H2
InChIKeySKTIPXLXBWFPIS-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.89
Rot. Bonds6

About [4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone

[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 78857530) has the molecular formula C19H18F2N4O4 and a molecular weight of 404.37 g/mol. Its IUPAC name is [4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID78857530
Molecular FormulaC19H18F2N4O4
Molecular Weight404.37 g/mol
Exact Mass404.13
IUPAC Name[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(Cc2nc(-c3ccccc3OC(F)F)no2)CC1
InChIInChI=1S/C19H18F2N4O4/c20-19(21)28-15-4-2-1-3-14(15)17-22-16(29-23-17)11-24-6-8-25(9-7-24)18(26)13-5-10-27-12-13/h1-5,10,12,19H,6-9,11H2
InChIKeySKTIPXLXBWFPIS-UHFFFAOYSA-N
XLogP2.89
TPSA84.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methoxyethanone
CID 78879613
[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 78898971
1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 78815383
2-[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 78807327
furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34955899
3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 78845832
3-[2-(difluoromethoxy)phenyl]-5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807785
3-[2-(difluoromethoxy)phenyl]-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807404
[4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 134007172
3-[2-(difluoromethoxy)phenyl]-5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807787
[4-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 55627344
1-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 47007430

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone (CID 78857530) is [4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCN(Cc2nc(-c3ccccc3OC(F)F)no2)CC1.
What is the InChIKey of [4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is SKTIPXLXBWFPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O4/c20-19(21)28-15-4-2-1-3-14(15)17-22-16(29-23-17)11-24-6-8-25(9-7-24)18(26)13-5-10-27-12-13/h1-5,10,12,19H,6-9,11H2.
What are the key properties of [4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 404.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 78857530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).