4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole

C20H20N2O3S — CID 1180559

IUPAC4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCCCC1
InChIInChI=1S/C20H20N2O3S/c23-26(24,17-12-6-2-7-13-17)19-20(22-14-8-3-9-15-22)25-18(21-19)16-10-4-1-5-11-16/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyAWBQUIPHVAALHK-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.16
Rot. Bonds4

About 4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole

4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole (PubChem CID 1180559) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole
PubChem CID1180559
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCCCC1
InChIInChI=1S/C20H20N2O3S/c23-26(24,17-12-6-2-7-13-17)19-20(22-14-8-3-9-15-22)25-18(21-19)16-10-4-1-5-11-16/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyAWBQUIPHVAALHK-UHFFFAOYSA-N
XLogP4.16
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole (CID 1180559) is 4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole is O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCCCC1.
What is the InChIKey of 4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole?
The InChIKey is AWBQUIPHVAALHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-26(24,17-12-6-2-7-13-17)19-20(22-14-8-3-9-15-22)25-18(21-19)16-10-4-1-5-11-16/h1-2,4-7,10-13H,3,8-9,14-15H2.
What are the key properties of 4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole?
4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole has a molecular weight of 368.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-phenyl-5-piperidin-1-yl-1,3-oxazole is sourced from PubChem (CID 1180559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).