5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole

C20H23ClN4O3S — CID 124995262

IUPAC5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1
InChIInChI=1S/C20H23ClN4O3S/c1-14-19(13-24(2)23-14)29(26,27)25-9-4-3-8-18(25)20-22-12-17(28-20)11-15-6-5-7-16(21)10-15/h5-7,10,12-13,18H,3-4,8-9,11H2,1-2H3/t18-/m1/s1
InChIKeyQKUBAVRFIRRCGK-GOSISDBHSA-N
MW434.95 g/mol
LogP3.88
Rot. Bonds5

About 5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole

5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole (PubChem CID 124995262) has the molecular formula C20H23ClN4O3S and a molecular weight of 434.95 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
PubChem CID124995262
Molecular FormulaC20H23ClN4O3S
Molecular Weight434.95 g/mol
Exact Mass434.12
IUPAC Name5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1
InChIInChI=1S/C20H23ClN4O3S/c1-14-19(13-24(2)23-14)29(26,27)25-9-4-3-8-18(25)20-22-12-17(28-20)11-15-6-5-7-16(21)10-15/h5-7,10,12-13,18H,3-4,8-9,11H2,1-2H3/t18-/m1/s1
InChIKeyQKUBAVRFIRRCGK-GOSISDBHSA-N
XLogP3.88
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 124998057
[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 125011634
1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 124974733
1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 124949491
[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124999923
5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 125012750
1-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 124979967
(2-amino-6-methylpyrimidin-4-yl)-[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 110121018
5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 110121353
[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110099296
5-[(3-chlorophenyl)methyl]-2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
CID 124952542
[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125010540

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole (CID 124995262) is 5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole is Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
The InChIKey is QKUBAVRFIRRCGK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23ClN4O3S/c1-14-19(13-24(2)23-14)29(26,27)25-9-4-3-8-18(25)20-22-12-17(28-20)11-15-6-5-7-16(21)10-15/h5-7,10,12-13,18H,3-4,8-9,11H2,1-2H3/t18-/m1/s1.
What are the key properties of 5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole has a molecular weight of 434.95 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 124995262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).