4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

C17H23N3O3S — CID 3579716

IUPAC4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C17H23N3O3S/c1-12-5-6-13(2)16(11-12)19-7-9-20(10-8-19)24(21,22)17-14(3)18-23-15(17)4/h5-6,11H,7-10H2,1-4H3
InChIKeyHLGVKBFWWKJZNN-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.42
Rot. Bonds3

About 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 3579716) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID3579716
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C17H23N3O3S/c1-12-5-6-13(2)16(11-12)19-7-9-20(10-8-19)24(21,22)17-14(3)18-23-15(17)4/h5-6,11H,7-10H2,1-4H3
InChIKeyHLGVKBFWWKJZNN-UHFFFAOYSA-N
XLogP2.42
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Dimethyl-N-{2-[4-(4-Methylbenzyl)piperidin-1-Yl]-3,4-Dioxocyclobut-1-En-1-Yl}-1,2-Oxazole-4-Sulfonamide
CID 90684390
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
N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
CID 3609627
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-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-N-(3,4-dimethylphenyl)-4-piperidinecarboxamide
CID 7436939
1-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 15990538
{1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-4-piperidyl}(4-methylphenyl)methanone
CID 2741118
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
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 3242506

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 3579716) is 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is Cc1ccc(C)c(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1.
What is the InChIKey of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is HLGVKBFWWKJZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-5-6-13(2)16(11-12)19-7-9-20(10-8-19)24(21,22)17-14(3)18-23-15(17)4/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 349.46 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 3579716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).