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

C15H20N4O3S — CID 95205594

IUPAC5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCN(Cc1nccs1)C(=O)c1cc(CN2CCC[C@@H](O)C2)on1
InChIInChI=1S/C15H20N4O3S/c1-18(10-14-16-4-6-23-14)15(21)13-7-12(22-17-13)9-19-5-2-3-11(20)8-19/h4,6-7,11,20H,2-3,5,8-10H2,1H3/t11-/m1/s1
InChIKeyAPURLIQUTIRLSL-LLVKDONJSA-N
MW336.42 g/mol
LogP1.36
Rot. Bonds5

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

5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 95205594) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID95205594
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCN(Cc1nccs1)C(=O)c1cc(CN2CCC[C@@H](O)C2)on1
InChIInChI=1S/C15H20N4O3S/c1-18(10-14-16-4-6-23-14)15(21)13-7-12(22-17-13)9-19-5-2-3-11(20)8-19/h4,6-7,11,20H,2-3,5,8-10H2,1H3/t11-/m1/s1
InChIKeyAPURLIQUTIRLSL-LLVKDONJSA-N
XLogP1.36
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-chloro-3-pyridinyl)methyl]-5-[(3-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 56743043
N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95221283
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56712236
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95189063
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 56747395
1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol
CID 82398962
5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56751085
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95203947
N-methyl-5-(morpholin-4-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95216881
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95229433
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56746235
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56705841

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 95205594) is 5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide is CN(Cc1nccs1)C(=O)c1cc(CN2CCC[C@@H](O)C2)on1.
What is the InChIKey of 5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is APURLIQUTIRLSL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-18(10-14-16-4-6-23-14)15(21)13-7-12(22-17-13)9-19-5-2-3-11(20)8-19/h4,6-7,11,20H,2-3,5,8-10H2,1H3/t11-/m1/s1.
What are the key properties of 5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95205594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).