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

C20H19ClN2O3S — CID 4290601

IUPAC4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)c1nc(-c2cccc(Cl)c2)oc1N1CCCCC1
InChIInChI=1S/C20H19ClN2O3S/c21-16-9-7-8-15(14-16)18-22-19(20(26-18)23-12-5-2-6-13-23)27(24,25)17-10-3-1-4-11-17/h1,3-4,7-11,14H,2,5-6,12-13H2
InChIKeyHCFYHMJVYGBPNO-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.82
Rot. Bonds4

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

4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole (PubChem CID 4290601) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole
PubChem CID4290601
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)c1nc(-c2cccc(Cl)c2)oc1N1CCCCC1
InChIInChI=1S/C20H19ClN2O3S/c21-16-9-7-8-15(14-16)18-22-19(20(26-18)23-12-5-2-6-13-23)27(24,25)17-10-3-1-4-11-17/h1,3-4,7-11,14H,2,5-6,12-13H2
InChIKeyHCFYHMJVYGBPNO-UHFFFAOYSA-N
XLogP4.82
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole (CID 4290601) is 4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole is O=S(=O)(c1ccccc1)c1nc(-c2cccc(Cl)c2)oc1N1CCCCC1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole?
The InChIKey is HCFYHMJVYGBPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c21-16-9-7-8-15(14-16)18-22-19(20(26-18)23-12-5-2-6-13-23)27(24,25)17-10-3-1-4-11-17/h1,3-4,7-11,14H,2,5-6,12-13H2.
What are the key properties of 4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole?
4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole has a molecular weight of 402.90 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole is sourced from PubChem (CID 4290601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).