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

C23H24F2N4O4 — CID 46403384

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)ccc1OC(F)F
InChIInChI=1S/C23H24F2N4O4/c1-15(21-26-20(27-33-21)16-6-4-3-5-7-16)28-10-12-29(13-11-28)22(30)17-8-9-18(32-23(24)25)19(14-17)31-2/h3-9,14-15,23H,10-13H2,1-2H3
InChIKeySPVYGTYXNOWFNX-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.87
Rot. Bonds7

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

[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 46403384) has the molecular formula C23H24F2N4O4 and a molecular weight of 458.47 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
PubChem CID46403384
Molecular FormulaC23H24F2N4O4
Molecular Weight458.47 g/mol
Exact Mass458.18
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)ccc1OC(F)F
InChIInChI=1S/C23H24F2N4O4/c1-15(21-26-20(27-33-21)16-6-4-3-5-7-16)28-10-12-29(13-11-28)22(30)17-8-9-18(32-23(24)25)19(14-17)31-2/h3-9,14-15,23H,10-13H2,1-2H3
InChIKeySPVYGTYXNOWFNX-UHFFFAOYSA-N
XLogP3.87
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethoxy-4-methylphenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43073653
(3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 43065087
(7-methoxy-1-benzofuran-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 78870629
(3,4-diethoxyphenyl)-[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 38779909
2-(2,5-dimethoxyphenyl)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 78870625
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537246
(3-chloro-4,5-dimethoxyphenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43073655
(5-bromo-3-pyridinyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 43065034
(3-hydroxynaphthalen-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46403274
methyl 3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]benzoate
CID 55830701
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47012450
[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 78881158

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone (CID 46403384) is [4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is SPVYGTYXNOWFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O4/c1-15(21-26-20(27-33-21)16-6-4-3-5-7-16)28-10-12-29(13-11-28)22(30)17-8-9-18(32-23(24)25)19(14-17)31-2/h3-9,14-15,23H,10-13H2,1-2H3.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 458.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46403384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).