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

C22H24F2N4O4S — CID 55740590

IUPAC[3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1OC(F)F
InChIInChI=1S/C22H24F2N4O4S/c1-30-16-7-6-15(14-17(16)31-22(23)24)21(29)28-11-9-27(10-12-28)8-2-5-19-25-20(26-32-19)18-4-3-13-33-18/h3-4,6-7,13-14,22H,2,5,8-12H2,1H3
InChIKeySRXUNYFSTQXYTJ-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.80
Rot. Bonds9

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

[3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone (PubChem CID 55740590) has the molecular formula C22H24F2N4O4S and a molecular weight of 478.52 g/mol. Its IUPAC name is [3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
PubChem CID55740590
Molecular FormulaC22H24F2N4O4S
Molecular Weight478.52 g/mol
Exact Mass478.15
IUPAC Name[3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1OC(F)F
InChIInChI=1S/C22H24F2N4O4S/c1-30-16-7-6-15(14-17(16)31-22(23)24)21(29)28-11-9-27(10-12-28)8-2-5-19-25-20(26-32-19)18-4-3-13-33-18/h3-4,6-7,13-14,22H,2,5,8-12H2,1H3
InChIKeySRXUNYFSTQXYTJ-UHFFFAOYSA-N
XLogP3.80
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-methylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 51263051
(4-methylsulfinylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 78826694
(3-propoxyphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 55772807
(2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 55446847
[3-methyl-4-(tetrazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 55772871
4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one
CID 55446960
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 78835620
[4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 55446987
2-(4-chlorophenoxy)-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]propan-1-one
CID 55447010
3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55511601
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30125627
3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 78826700

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone (CID 55740590) is [3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1OC(F)F.
What is the InChIKey of [3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?
The InChIKey is SRXUNYFSTQXYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O4S/c1-30-16-7-6-15(14-17(16)31-22(23)24)21(29)28-11-9-27(10-12-28)8-2-5-19-25-20(26-32-19)18-4-3-13-33-18/h3-4,6-7,13-14,22H,2,5,8-12H2,1H3.
What are the key properties of [3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone has a molecular weight of 478.52 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-4-methoxyphenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55740590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).