3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole

C16H28N4O3S — CID 42960083

IUPAC3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCN(S(=O)(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C16H28N4O3S/c1-13-5-4-6-20(11-13)24(21,22)19-9-7-18(8-10-19)12-16-14(2)17-23-15(16)3/h13H,4-12H2,1-3H3
InChIKeyAERVEPZASZQDFA-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.39
Rot. Bonds4

About 3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 42960083) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
PubChem CID42960083
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCN(S(=O)(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C16H28N4O3S/c1-13-5-4-6-20(11-13)24(21,22)19-9-7-18(8-10-19)12-16-14(2)17-23-15(16)3/h13H,4-12H2,1-3H3
InChIKeyAERVEPZASZQDFA-UHFFFAOYSA-N
XLogP1.39
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 94021516
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34782912
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-3-carbaldehyde
CID 62654932
3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 56795622
1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 35317151
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 37362654
5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 51673725
4-[[4-(1,3-benzodioxol-5-ylsulfonyl)-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 110646655
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346351
4-[[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 110646657
(2S,3aS,7aS)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369431
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 154583218

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole (CID 42960083) is 3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCN(S(=O)(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of 3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is AERVEPZASZQDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-13-5-4-6-20(11-13)24(21,22)19-9-7-18(8-10-19)12-16-14(2)17-23-15(16)3/h13H,4-12H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 356.49 g/mol, XLogP of 1.39, 4 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-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 42960083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).