3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine

C15H19N3O3S — CID 53146672

IUPAC3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine
SMILESNc1cc(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)no1
InChIInChI=1S/C15H19N3O3S/c16-15-10-14(17-21-15)13-6-8-18(9-7-13)22(19,20)11-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11,16H2
InChIKeyDFRRYXHIHLDEPV-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.97
Rot. Bonds4

About 3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine

3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine (PubChem CID 53146672) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine
PubChem CID53146672
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine
SMILESNc1cc(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)no1
InChIInChI=1S/C15H19N3O3S/c16-15-10-14(17-21-15)13-6-8-18(9-7-13)22(19,20)11-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11,16H2
InChIKeyDFRRYXHIHLDEPV-UHFFFAOYSA-N
XLogP1.97
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine 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 3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine (CID 53146672) is 3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine is Nc1cc(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)no1.
What is the InChIKey of 3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine?
The InChIKey is DFRRYXHIHLDEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c16-15-10-14(17-21-15)13-6-8-18(9-7-13)22(19,20)11-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11,16H2.
What are the key properties of 3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine?
3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine has a molecular weight of 321.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 53146672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).