5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole

C20H20ClN3O3S — CID 110120105

IUPAC5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole
SMILESO=S(=O)(c1cccnc1)N1CCCC(c2ncc(Cc3ccccc3Cl)o2)C1
InChIInChI=1S/C20H20ClN3O3S/c21-19-8-2-1-5-15(19)11-17-12-23-20(27-17)16-6-4-10-24(14-16)28(25,26)18-7-3-9-22-13-18/h1-3,5,7-9,12-13,16H,4,6,10-11,14H2
InChIKeyLIXAFVQGZIFBOH-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.88
Rot. Bonds5

About 5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole

5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole (PubChem CID 110120105) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole
PubChem CID110120105
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole
SMILESO=S(=O)(c1cccnc1)N1CCCC(c2ncc(Cc3ccccc3Cl)o2)C1
InChIInChI=1S/C20H20ClN3O3S/c21-19-8-2-1-5-15(19)11-17-12-23-20(27-17)16-6-4-10-24(14-16)28(25,26)18-7-3-9-22-13-18/h1-3,5,7-9,12-13,16H,4,6,10-11,14H2
InChIKeyLIXAFVQGZIFBOH-UHFFFAOYSA-N
XLogP3.88
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125020504
[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125020505
1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 110119763
5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole
CID 124978728
1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 110119758
[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 124976563
[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110119845
1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 125020901
1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 125020902
[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 125022777
1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 125013521
1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 124963772

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole (CID 110120105) is 5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole is O=S(=O)(c1cccnc1)N1CCCC(c2ncc(Cc3ccccc3Cl)o2)C1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole?
The InChIKey is LIXAFVQGZIFBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c21-19-8-2-1-5-15(19)11-17-12-23-20(27-17)16-6-4-10-24(14-16)28(25,26)18-7-3-9-22-13-18/h1-3,5,7-9,12-13,16H,4,6,10-11,14H2.
What are the key properties of 5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole?
5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole has a molecular weight of 417.92 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole is sourced from PubChem (CID 110120105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).