2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone

C19H27N5O2S — CID 53160929

IUPAC2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone
SMILESCCC(CC)N1CCN(C(=O)CSc2ncccc2-c2noc(C)n2)CC1
InChIInChI=1S/C19H27N5O2S/c1-4-15(5-2)23-9-11-24(12-10-23)17(25)13-27-19-16(7-6-8-20-19)18-21-14(3)26-22-18/h6-8,15H,4-5,9-13H2,1-3H3
InChIKeySYNSJGFCNPOQAI-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.86
Rot. Bonds7

About 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone

2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone (PubChem CID 53160929) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone
PubChem CID53160929
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone
SMILESCCC(CC)N1CCN(C(=O)CSc2ncccc2-c2noc(C)n2)CC1
InChIInChI=1S/C19H27N5O2S/c1-4-15(5-2)23-9-11-24(12-10-23)17(25)13-27-19-16(7-6-8-20-19)18-21-14(3)26-22-18/h6-8,15H,4-5,9-13H2,1-3H3
InChIKeySYNSJGFCNPOQAI-UHFFFAOYSA-N
XLogP2.86
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 53160924
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160903
N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160899
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 53160901
N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160891
2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetic acid
CID 97032554
N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166155
2-[(3-amino-2-pyridinyl)sulfanyl]-1-(azepan-1-yl)ethanone
CID 43300790
(4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone
CID 53166142
2-isoquinolin-1-ylsulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 4279123
2-(4-methoxyphenyl)sulfanyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 78870624
N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166154

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone (CID 53160929) is 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone is CCC(CC)N1CCN(C(=O)CSc2ncccc2-c2noc(C)n2)CC1.
What is the InChIKey of 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone?
The InChIKey is SYNSJGFCNPOQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-4-15(5-2)23-9-11-24(12-10-23)17(25)13-27-19-16(7-6-8-20-19)18-21-14(3)26-22-18/h6-8,15H,4-5,9-13H2,1-3H3.
What are the key properties of 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone?
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone has a molecular weight of 389.53 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53160929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).