4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide

C12H20N4O4S — CID 146122605

IUPAC4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1
InChIInChI=1S/C12H20N4O4S/c1-9-11(10(2)20-14-9)8-12(17)15-4-6-16(7-5-15)21(18,19)13-3/h13H,4-8H2,1-3H3
InChIKeyLIOVWEAHNHYFAH-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.56
Rot. Bonds4

About 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide (PubChem CID 146122605) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide
PubChem CID146122605
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1
InChIInChI=1S/C12H20N4O4S/c1-9-11(10(2)20-14-9)8-12(17)15-4-6-16(7-5-15)21(18,19)13-3/h13H,4-8H2,1-3H3
InChIKeyLIOVWEAHNHYFAH-UHFFFAOYSA-N
XLogP-0.56
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-ethylsulfonylazetidin-1-yl)ethanone
CID 121164442
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 91910350
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506533
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8638751
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]ethanone
CID 110252871
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 9363431
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone
CID 86780296
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
CID 56778583
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]ethanone
CID 96558318

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide (CID 146122605) is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide is CNS(=O)(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1.
What is the InChIKey of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide?
The InChIKey is LIOVWEAHNHYFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-9-11(10(2)20-14-9)8-12(17)15-4-6-16(7-5-15)21(18,19)13-3/h13H,4-8H2,1-3H3.
What are the key properties of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide?
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 146122605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).