2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole

C11H18N2O3S — CID 123566359

IUPAC2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole
SMILESCc1nc(CS(=O)(=O)C2CCNCC2)c(C)o1
InChIInChI=1S/C11H18N2O3S/c1-8-11(13-9(2)16-8)7-17(14,15)10-3-5-12-6-4-10/h10,12H,3-7H2,1-2H3
InChIKeyPVSGGFOGKTYJOR-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.96
Rot. Bonds3

About 2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole

2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole (PubChem CID 123566359) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole
PubChem CID123566359
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole
SMILESCc1nc(CS(=O)(=O)C2CCNCC2)c(C)o1
InChIInChI=1S/C11H18N2O3S/c1-8-11(13-9(2)16-8)7-17(14,15)10-3-5-12-6-4-10/h10,12H,3-7H2,1-2H3
InChIKeyPVSGGFOGKTYJOR-UHFFFAOYSA-N
XLogP0.96
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]-N,N-dimethylpiperidine-3-sulfonamide
CID 164630440
(2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,4-thiazinane 1,1-dioxide
CID 164641614
5-Methyl-2-thiomorpholin-3-yl-4-(trifluoromethyl)-1,3-oxazole
CID 105509630
4-Methyl-2-thiomorpholin-3-yl-5-(trifluoromethyl)-1,3-oxazole
CID 105509631
3-[(2,5-Dimethyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine
CID 20567782
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-[(5-methyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide
CID 70911694
4-[[(2R,6S)-2,6-dimethylpiperidin-4-yl]sulfonylmethyl]-5-methyl-1,3-oxazole
CID 141337939
5-Methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole
CID 141384373
5-Methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole
CID 151730504
N-(cyclopropylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfonyl]acetamide
CID 47075916
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide
CID 47359106
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 47394951

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole (CID 123566359) is 2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole is Cc1nc(CS(=O)(=O)C2CCNCC2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole?
The InChIKey is PVSGGFOGKTYJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-11(13-9(2)16-8)7-17(14,15)10-3-5-12-6-4-10/h10,12H,3-7H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole?
2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole has a molecular weight of 258.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole is sourced from PubChem (CID 123566359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).