2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole

C20H22N2O4S — CID 91625081

IUPAC2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole
SMILESO=S(=O)(CCc1ccccc1)N1CCC(Oc2nc3ccccc3o2)CC1
InChIInChI=1S/C20H22N2O4S/c23-27(24,15-12-16-6-2-1-3-7-16)22-13-10-17(11-14-22)25-20-21-18-8-4-5-9-19(18)26-20/h1-9,17H,10-15H2
InChIKeyMESNFFLFVMCMIT-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.24
Rot. Bonds6

About 2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole

2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole (PubChem CID 91625081) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole
PubChem CID91625081
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole
SMILESO=S(=O)(CCc1ccccc1)N1CCC(Oc2nc3ccccc3o2)CC1
InChIInChI=1S/C20H22N2O4S/c23-27(24,15-12-16-6-2-1-3-7-16)22-13-10-17(11-14-22)25-20-21-18-8-4-5-9-19(18)26-20/h1-9,17H,10-15H2
InChIKeyMESNFFLFVMCMIT-UHFFFAOYSA-N
XLogP3.24
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 175243852
4-(2-bromoethoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 82689124
1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine
CID 174483108
2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617948
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 91625072
1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine
CID 110725489
3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 23577246
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 23577294
N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 58933781
(4-methoxyphenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 94244239

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole?
The IUPAC name of 2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole (CID 91625081) is 2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole.
What is the SMILES notation for 2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole?
The canonical SMILES for 2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole is O=S(=O)(CCc1ccccc1)N1CCC(Oc2nc3ccccc3o2)CC1.
What is the InChIKey of 2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole?
The InChIKey is MESNFFLFVMCMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c23-27(24,15-12-16-6-2-1-3-7-16)22-13-10-17(11-14-22)25-20-21-18-8-4-5-9-19(18)26-20/h1-9,17H,10-15H2.
What are the key properties of 2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole?
2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole has a molecular weight of 386.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole is sourced from PubChem (CID 91625081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).