(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one

C15H25N3O3 — CID 42527454

IUPAC(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one
SMILESCC(C)(C)CN1CCC[C@](O)(CNCc2ccon2)C1=O
InChIInChI=1S/C15H25N3O3/c1-14(2,3)11-18-7-4-6-15(20,13(18)19)10-16-9-12-5-8-21-17-12/h5,8,16,20H,4,6-7,9-11H2,1-3H3/t15-/m0/s1
InChIKeySWELMBSVBQKHST-HNNXBMFYSA-N
MW295.38 g/mol
LogP1.16
Rot. Bonds5

About (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one

(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one (PubChem CID 42527454) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one
PubChem CID42527454
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one
SMILESCC(C)(C)CN1CCC[C@](O)(CNCc2ccon2)C1=O
InChIInChI=1S/C15H25N3O3/c1-14(2,3)11-18-7-4-6-15(20,13(18)19)10-16-9-12-5-8-21-17-12/h5,8,16,20H,4,6-7,9-11H2,1-3H3/t15-/m0/s1
InChIKeySWELMBSVBQKHST-HNNXBMFYSA-N
XLogP1.16
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one 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 (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one?
The IUPAC name of (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one (CID 42527454) is (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one.
What is the SMILES notation for (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one?
The canonical SMILES for (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one is CC(C)(C)CN1CCC[C@](O)(CNCc2ccon2)C1=O.
What is the InChIKey of (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one?
The InChIKey is SWELMBSVBQKHST-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-14(2,3)11-18-7-4-6-15(20,13(18)19)10-16-9-12-5-8-21-17-12/h5,8,16,20H,4,6-7,9-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one?
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one is sourced from PubChem (CID 42527454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).