4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one

C20H23N5O6S — CID 55753901

IUPAC4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
SMILESCc1cc(C(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)on1
InChIInChI=1S/C20H23N5O6S/c1-14-11-17(31-22-14)20(28)24-9-7-23(8-10-24)19(27)15-3-2-4-16(12-15)32(29,30)25-6-5-21-18(26)13-25/h2-4,11-12H,5-10,13H2,1H3,(H,21,26)
InChIKeyCVOUBCFZOCQUIV-UHFFFAOYSA-N
MW461.50 g/mol
LogP-0.30
Rot. Bonds4

About 4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one

4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one (PubChem CID 55753901) has the molecular formula C20H23N5O6S and a molecular weight of 461.50 g/mol. Its IUPAC name is 4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
PubChem CID55753901
Molecular FormulaC20H23N5O6S
Molecular Weight461.50 g/mol
Exact Mass461.14
IUPAC Name4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
SMILESCc1cc(C(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)on1
InChIInChI=1S/C20H23N5O6S/c1-14-11-17(31-22-14)20(28)24-9-7-23(8-10-24)19(27)15-3-2-4-16(12-15)32(29,30)25-6-5-21-18(26)13-25/h2-4,11-12H,5-10,13H2,1H3,(H,21,26)
InChIKeyCVOUBCFZOCQUIV-UHFFFAOYSA-N
XLogP-0.30
TPSA133.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one 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-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 39977453
4-[3-(1,4-diazepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119418489
4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 37355621
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55641637
4-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120815087
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 27757740
4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 42949393
N-(3-methyl-2-pyridinyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332424
(4-methoxyphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate
CID 30783557
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
4-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 119469574
(2-chlorophenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate
CID 134062109

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one (CID 55753901) is 4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one is Cc1cc(C(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)on1.
What is the InChIKey of 4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The InChIKey is CVOUBCFZOCQUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O6S/c1-14-11-17(31-22-14)20(28)24-9-7-23(8-10-24)19(27)15-3-2-4-16(12-15)32(29,30)25-6-5-21-18(26)13-25/h2-4,11-12H,5-10,13H2,1H3,(H,21,26).
What are the key properties of 4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one has a molecular weight of 461.50 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 55753901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).