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

C13H18N4O3S — CID 131909529

IUPAC3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H18N4O3S/c1-9-13(10(2)20-16-9)21(18,19)17-7-3-4-11(8-17)12-5-6-14-15-12/h5-6,11H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyFQFQXGSNMPBKNG-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.58
Rot. Bonds3

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

3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 131909529) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
PubChem CID131909529
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H18N4O3S/c1-9-13(10(2)20-16-9)21(18,19)17-7-3-4-11(8-17)12-5-6-14-15-12/h5-6,11H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyFQFQXGSNMPBKNG-UHFFFAOYSA-N
XLogP1.58
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3,5-dimethyl-4-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole (CID 131909529) is 3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is FQFQXGSNMPBKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9-13(10(2)20-16-9)21(18,19)17-7-3-4-11(8-17)12-5-6-14-15-12/h5-6,11H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 310.38 g/mol, XLogP of 1.58, 3 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-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 131909529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).