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

C18H24N2O3S — CID 4511912

IUPAC4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole
SMILESCCCCc1nc(S(=O)(=O)c2ccccc2)c(N2CCCCC2)o1
InChIInChI=1S/C18H24N2O3S/c1-2-3-12-16-19-17(18(23-16)20-13-8-5-9-14-20)24(21,22)15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3
InChIKeyKJGRSSWGQHIPMP-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.84
Rot. Bonds6

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

4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole (PubChem CID 4511912) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole
PubChem CID4511912
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole
SMILESCCCCc1nc(S(=O)(=O)c2ccccc2)c(N2CCCCC2)o1
InChIInChI=1S/C18H24N2O3S/c1-2-3-12-16-19-17(18(23-16)20-13-8-5-9-14-20)24(21,22)15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3
InChIKeyKJGRSSWGQHIPMP-UHFFFAOYSA-N
XLogP3.84
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole (CID 4511912) is 4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole is CCCCc1nc(S(=O)(=O)c2ccccc2)c(N2CCCCC2)o1.
What is the InChIKey of 4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole?
The InChIKey is KJGRSSWGQHIPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-2-3-12-16-19-17(18(23-16)20-13-8-5-9-14-20)24(21,22)15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole?
4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole has a molecular weight of 348.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole is sourced from PubChem (CID 4511912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).