(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

C12H19N3O4S — CID 75538104

IUPAC(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)no1
InChIInChI=1S/C12H19N3O4S/c1-9(2)11-8-10(13-19-11)12(16)14-4-6-15(7-5-14)20(3,17)18/h8-9H,4-7H2,1-3H3
InChIKeyQHWJOGBNMIZBKL-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.52
Rot. Bonds3

About (4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 75538104) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID75538104
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)no1
InChIInChI=1S/C12H19N3O4S/c1-9(2)11-8-10(13-19-11)12(16)14-4-6-15(7-5-14)20(3,17)18/h8-9H,4-7H2,1-3H3
InChIKeyQHWJOGBNMIZBKL-UHFFFAOYSA-N
XLogP0.52
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-adamantyl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56904026
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 90511562
(3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 43060282
1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one
CID 70782658
(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 75508127
[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 154775772
4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147367
piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone
CID 119043229
(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61042497
(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 106550918
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 75538104) is (4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)no1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is QHWJOGBNMIZBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9(2)11-8-10(13-19-11)12(16)14-4-6-15(7-5-14)20(3,17)18/h8-9H,4-7H2,1-3H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 301.37 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 75538104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).