3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole

C19H22N4O3S — CID 45237027

IUPAC3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(c2[nH]ncc2-c2ccccc2)C1
InChIInChI=1S/C19H22N4O3S/c1-13-19(14(2)26-22-13)27(24,25)23-10-6-9-16(12-23)18-17(11-20-21-18)15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H,20,21)
InChIKeyUIPCCTBVHSPDAU-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.25
Rot. Bonds4

About 3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole

3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 45237027) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
PubChem CID45237027
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(c2[nH]ncc2-c2ccccc2)C1
InChIInChI=1S/C19H22N4O3S/c1-13-19(14(2)26-22-13)27(24,25)23-10-6-9-16(12-23)18-17(11-20-21-18)15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H,20,21)
InChIKeyUIPCCTBVHSPDAU-UHFFFAOYSA-N
XLogP3.25
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole (CID 45237027) is 3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCCC(c2[nH]ncc2-c2ccccc2)C1.
What is the InChIKey of 3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is UIPCCTBVHSPDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-19(14(2)26-22-13)27(24,25)23-10-6-9-16(12-23)18-17(11-20-21-18)15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 386.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 45237027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).