3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole

C16H22N4O3S — CID 154884055

IUPAC3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole
SMILESCc1cnn(C2CC3CCC(C2)N3S(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H22N4O3S/c1-10-8-17-19(9-10)15-6-13-4-5-14(7-15)20(13)24(21,22)16-11(2)18-23-12(16)3/h8-9,13-15H,4-7H2,1-3H3
InChIKeyOSZVJSQFXQZVTE-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.35
Rot. Bonds3

About 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole

3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole (PubChem CID 154884055) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole
PubChem CID154884055
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole
SMILESCc1cnn(C2CC3CCC(C2)N3S(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H22N4O3S/c1-10-8-17-19(9-10)15-6-13-4-5-14(7-15)20(13)24(21,22)16-11(2)18-23-12(16)3/h8-9,13-15H,4-7H2,1-3H3
InChIKeyOSZVJSQFXQZVTE-UHFFFAOYSA-N
XLogP2.35
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
CID 154583813
8-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
CID 154884108
4-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-3,5-dimethyl-1,2-oxazole
CID 120719401
4-(8-azabicyclo[3.2.1]oct-2-en-8-ylsulfonyl)-3,5-dimethyl-1,2-oxazole
CID 90627344
4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]morpholine
CID 168996153
1-cyclobutyl-4-methylpyrazole
CID 59225391
8-[(2-chlorophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
CID 154831363
3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 126947247
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 63401014
4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 66203511
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975076

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole (CID 154884055) is 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole is Cc1cnn(C2CC3CCC(C2)N3S(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole?
The InChIKey is OSZVJSQFXQZVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-10-8-17-19(9-10)15-6-13-4-5-14(7-15)20(13)24(21,22)16-11(2)18-23-12(16)3/h8-9,13-15H,4-7H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole?
3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole has a molecular weight of 350.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-1,2-oxazole is sourced from PubChem (CID 154884055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).