1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone

C17H20N4O3S — CID 36708662

IUPAC1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccccc2SCc2noc(C)n2)CC1
InChIInChI=1S/C17H20N4O3S/c1-12-18-16(19-24-12)11-25-15-6-4-3-5-14(15)17(23)21-9-7-20(8-10-21)13(2)22/h3-6H,7-11H2,1-2H3
InChIKeyQDZSLFNLSZCTSP-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.97
Rot. Bonds4

About 1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone

1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone (PubChem CID 36708662) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
PubChem CID36708662
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccccc2SCc2noc(C)n2)CC1
InChIInChI=1S/C17H20N4O3S/c1-12-18-16(19-24-12)11-25-15-6-4-3-5-14(15)17(23)21-9-7-20(8-10-21)13(2)22/h3-6H,7-11H2,1-2H3
InChIKeyQDZSLFNLSZCTSP-UHFFFAOYSA-N
XLogP1.97
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 46449097
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 30776307
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone
CID 55531006
[(4aS,8aS)-1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone
CID 97008863
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 71943116
N-[2-(tert-butylamino)-2-oxoethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 134025623
N-(4-bromophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46530867
(4-ethylpiperazin-1-yl)-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
CID 145422783
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile
CID 91767952
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 37095800
N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide
CID 36897572
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide
CID 39702738

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone (CID 36708662) is 1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccccc2SCc2noc(C)n2)CC1.
What is the InChIKey of 1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone?
The InChIKey is QDZSLFNLSZCTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-12-18-16(19-24-12)11-25-15-6-4-3-5-14(15)17(23)21-9-7-20(8-10-21)13(2)22/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone?
1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 360.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 36708662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).