5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C15H20N4O3S — CID 56718229

IUPAC5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(CN2CCC(O)CC2)on1)c1nccs1
InChIInChI=1S/C15H20N4O3S/c1-10(15-16-4-7-23-15)17-14(21)13-8-12(22-18-13)9-19-5-2-11(20)3-6-19/h4,7-8,10-11,20H,2-3,5-6,9H2,1H3,(H,17,21)
InChIKeyQHFXUFSKFARIRJ-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.58
Rot. Bonds5

About 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 56718229) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID56718229
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(CN2CCC(O)CC2)on1)c1nccs1
InChIInChI=1S/C15H20N4O3S/c1-10(15-16-4-7-23-15)17-14(21)13-8-12(22-18-13)9-19-5-2-11(20)3-6-19/h4,7-8,10-11,20H,2-3,5-6,9H2,1H3,(H,17,21)
InChIKeyQHFXUFSKFARIRJ-UHFFFAOYSA-N
XLogP1.58
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95189063
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95198420
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56705166
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56700663
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 56716703
N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95190489
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95191686
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56745348
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56746235
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95201172
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
2-(1-ethylpiperidin-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 72845666

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 56718229) is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is CC(NC(=O)c1cc(CN2CCC(O)CC2)on1)c1nccs1.
What is the InChIKey of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QHFXUFSKFARIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10(15-16-4-7-23-15)17-14(21)13-8-12(22-18-13)9-19-5-2-11(20)3-6-19/h4,7-8,10-11,20H,2-3,5-6,9H2,1H3,(H,17,21).
What are the key properties of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56718229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).