2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone

C10H15N3O2S — CID 106924584

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
SMILESCc1coc(SCC(=O)N2CCNCC2)n1
InChIInChI=1S/C10H15N3O2S/c1-8-6-15-10(12-8)16-7-9(14)13-4-2-11-3-5-13/h6,11H,2-5,7H2,1H3
InChIKeyMJAZKLZWGQDEJM-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.51
Rot. Bonds3

About 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone (PubChem CID 106924584) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
PubChem CID106924584
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
SMILESCc1coc(SCC(=O)N2CCNCC2)n1
InChIInChI=1S/C10H15N3O2S/c1-8-6-15-10(12-8)16-7-9(14)13-4-2-11-3-5-13/h6,11H,2-5,7H2,1H3
InChIKeyMJAZKLZWGQDEJM-UHFFFAOYSA-N
XLogP0.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 82511565
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520218
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone
CID 82508040
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 62875775
2-(3-amino-2-methylphenyl)sulfanyl-1-piperazin-1-ylethanone
CID 79143784
2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone
CID 82509435
2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
CID 107147060
2-(3-aminopyrazin-2-yl)sulfanyl-1-piperazin-1-ylethanone
CID 106679402
2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 62958222
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone
CID 98020112
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone
CID 39163135
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone (CID 106924584) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone is Cc1coc(SCC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone?
The InChIKey is MJAZKLZWGQDEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-8-6-15-10(12-8)16-7-9(14)13-4-2-11-3-5-13/h6,11H,2-5,7H2,1H3.
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone has a molecular weight of 241.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 106924584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).