5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole

C17H21ClN2O3S — CID 126791858

IUPAC5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole
SMILESCCS(=O)(=O)C1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C17H21ClN2O3S/c1-2-24(21,22)13-7-9-20(10-8-13)12-17-19-11-16(23-17)14-5-3-4-6-15(14)18/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyZIWGBWGWDKUYMB-UHFFFAOYSA-N
MW368.89 g/mol
LogP3.39
Rot. Bonds5

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

5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole (PubChem CID 126791858) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole
PubChem CID126791858
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC Name5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole
SMILESCCS(=O)(=O)C1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C17H21ClN2O3S/c1-2-24(21,22)13-7-9-20(10-8-13)12-17-19-11-16(23-17)14-5-3-4-6-15(14)18/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyZIWGBWGWDKUYMB-UHFFFAOYSA-N
XLogP3.39
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-yl]methanesulfonamide
CID 126793230
5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 110170884
5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 110170883
1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907746
5-(2,3-dichlorophenyl)-2-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 166364103
1-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 95782150
1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
CID 3049278
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119906619
(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111462016
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488208
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119543119
2-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3-oxazole
CID 126791585

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole (CID 126791858) is 5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole is CCS(=O)(=O)C1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is ZIWGBWGWDKUYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-2-24(21,22)13-7-9-20(10-8-13)12-17-19-11-16(23-17)14-5-3-4-6-15(14)18/h3-6,11,13H,2,7-10,12H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole?
5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 368.89 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 126791858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).