2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C20H28N6O4S — CID 53118707

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C20H28N6O4S/c1-15-19(16(2)30-23-15)31(28,29)26-8-4-17(5-9-26)14-18(27)24-10-12-25(13-11-24)20-21-6-3-7-22-20/h3,6-7,17H,4-5,8-14H2,1-2H3
InChIKeyPKNPIBGIUCMJRJ-UHFFFAOYSA-N
MW448.55 g/mol
LogP1.22
Rot. Bonds5

About 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 53118707) has the molecular formula C20H28N6O4S and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID53118707
Molecular FormulaC20H28N6O4S
Molecular Weight448.55 g/mol
Exact Mass448.19
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C20H28N6O4S/c1-15-19(16(2)30-23-15)31(28,29)26-8-4-17(5-9-26)14-18(27)24-10-12-25(13-11-24)20-21-6-3-7-22-20/h3,6-7,17H,4-5,8-14H2,1-2H3
InChIKeyPKNPIBGIUCMJRJ-UHFFFAOYSA-N
XLogP1.22
TPSA112.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopentyl-4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazine-1-carboxamide
CID 53118822
1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 53118802
4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide
CID 53118821
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 53118801
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 9151317
2-cyclopent-2-en-1-yl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 17480622
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propylacetamide
CID 53118695
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 53118707) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)N2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is PKNPIBGIUCMJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O4S/c1-15-19(16(2)30-23-15)31(28,29)26-8-4-17(5-9-26)14-18(27)24-10-12-25(13-11-24)20-21-6-3-7-22-20/h3,6-7,17H,4-5,8-14H2,1-2H3.
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 448.55 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53118707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).