3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole

C15H19N3O3S — CID 3368289

IUPAC3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H19N3O3S/c1-12-15(13(2)21-16-12)22(19,20)18-10-8-17(9-11-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyYXXZFLNEJXWIJM-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.80
Rot. Bonds3

About 3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole

3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole (PubChem CID 3368289) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole
PubChem CID3368289
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H19N3O3S/c1-12-15(13(2)21-16-12)22(19,20)18-10-8-17(9-11-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyYXXZFLNEJXWIJM-UHFFFAOYSA-N
XLogP1.80
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide
CID 3239540
N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2741492
3,5-dimethyl-N-(2-morpholinophenyl)-4-isoxazolesulfonamide
CID 2813422
N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
CID 3609627
1-(4-Chlorophenyl)-4-({1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidin-4-yl}carbonyl)piperazine
CID 3240304
1-({1-[(3,5-Dimethylisoxazol-4-yl)sulfonyl]piperidin-4-yl}carbonyl)-4-(4-fluorophenyl)piperazine
CID 3245224
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 7436932
1-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 15990538
ethyl 4-[N-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-methylphenyl)glycyl]piperazine-1-carboxylate
CID 3235694
N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~1~-(4-ethylphenyl)glycinamide
CID 3241984
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,5-dimethylisoxazole-4-sulfonamide
CID 3245642
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(2,5-dimethylphenyl)piperazine
CID 3579716

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole (CID 3368289) is 3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole?
The InChIKey is YXXZFLNEJXWIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-12-15(13(2)21-16-12)22(19,20)18-10-8-17(9-11-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole?
3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole has a molecular weight of 321.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazole is sourced from PubChem (CID 3368289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).