[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C18H24N4O3S — CID 95201172

IUPAC[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(CN2CCC(O)CC2)on1)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C18H24N4O3S/c23-13-4-8-21(9-5-13)12-14-11-15(20-25-14)18(24)22-7-2-1-3-16(22)17-19-6-10-26-17/h6,10-11,13,16,23H,1-5,7-9,12H2/t16-/m0/s1
InChIKeyPOCIYHFZRRAKCJ-INIZCTEOSA-N
MW376.48 g/mol
LogP2.46
Rot. Bonds4

About [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95201172) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID95201172
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(CN2CCC(O)CC2)on1)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C18H24N4O3S/c23-13-4-8-21(9-5-13)12-14-11-15(20-25-14)18(24)22-7-2-1-3-16(22)17-19-6-10-26-17/h6,10-11,13,16,23H,1-5,7-9,12H2/t16-/m0/s1
InChIKeyPOCIYHFZRRAKCJ-INIZCTEOSA-N
XLogP2.46
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 25456831
1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
CID 42508366
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56718229
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 70746719
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95189063
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 56706818
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 56740716
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95776588
[2-(methylamino)-1,3-thiazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 77087316
(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 96576018

Frequently Asked Questions

What is the IUPAC name of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 95201172) is [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1cc(CN2CCC(O)CC2)on1)N1CCCC[C@H]1c1nccs1.
What is the InChIKey of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is POCIYHFZRRAKCJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O3S/c23-13-4-8-21(9-5-13)12-14-11-15(20-25-14)18(24)22-7-2-1-3-16(22)17-19-6-10-26-17/h6,10-11,13,16,23H,1-5,7-9,12H2/t16-/m0/s1.
What are the key properties of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 376.48 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95201172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).