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

C16H22N4O3S — CID 95189063

IUPAC5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H](c1nccs1)N(C)C(=O)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C16H22N4O3S/c1-11(15-17-5-8-24-15)19(2)16(22)14-9-13(23-18-14)10-20-6-3-12(21)4-7-20/h5,8-9,11-12,21H,3-4,6-7,10H2,1-2H3/t11-/m0/s1
InChIKeyDQGALWUGXWQQCL-NSHDSACASA-N
MW350.44 g/mol
LogP1.92
Rot. Bonds5

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

5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 95189063) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID95189063
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H](c1nccs1)N(C)C(=O)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C16H22N4O3S/c1-11(15-17-5-8-24-15)19(2)16(22)14-9-13(23-18-14)10-20-6-3-12(21)4-7-20/h5,8-9,11-12,21H,3-4,6-7,10H2,1-2H3/t11-/m0/s1
InChIKeyDQGALWUGXWQQCL-NSHDSACASA-N
XLogP1.92
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56718229
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 56747395
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,N-dipropyl-1,2-oxazole-3-carboxamide
CID 56744415
N-methyl-5-(morpholin-4-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 95216265
5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95205594
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95201172
N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 56754087
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95190489
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 45211746

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 95189063) is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-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-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is C[C@@H](c1nccs1)N(C)C(=O)c1cc(CN2CCC(O)CC2)on1.
What is the InChIKey of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DQGALWUGXWQQCL-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-11(15-17-5-8-24-15)19(2)16(22)14-9-13(23-18-14)10-20-6-3-12(21)4-7-20/h5,8-9,11-12,21H,3-4,6-7,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.92, 5 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]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95189063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).