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

C18H24N4O3 — CID 95221283

IUPACN-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(CN2CCC[C@H](O)C2)on1
InChIInChI=1S/C18H24N4O3/c1-2-22(11-14-5-7-19-8-6-14)18(24)17-10-16(25-20-17)13-21-9-3-4-15(23)12-21/h5-8,10,15,23H,2-4,9,11-13H2,1H3/t15-/m0/s1
InChIKeyWDIWTJPIPYUXJW-HNNXBMFYSA-N
MW344.42 g/mol
LogP1.69
Rot. Bonds6

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

N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 95221283) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID95221283
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(CN2CCC[C@H](O)C2)on1
InChIInChI=1S/C18H24N4O3/c1-2-22(11-14-5-7-19-8-6-14)18(24)17-10-16(25-20-17)13-21-9-3-4-15(23)12-21/h5-8,10,15,23H,2-4,9,11-13H2,1H3/t15-/m0/s1
InChIKeyWDIWTJPIPYUXJW-HNNXBMFYSA-N
XLogP1.69
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95205594
N-[(2-chloro-3-pyridinyl)methyl]-5-[(3-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 56743043
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
5-[(4-hydroxypiperidin-1-yl)methyl]-N,N-dipropyl-1,2-oxazole-3-carboxamide
CID 56744415
1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol
CID 82398962
5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 42195960
5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95208120
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 56758608
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 72864451
1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea
CID 126441274
N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 56754087
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56712236

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 95221283) is N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CCN(Cc1ccncc1)C(=O)c1cc(CN2CCC[C@H](O)C2)on1.
What is the InChIKey of N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WDIWTJPIPYUXJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-22(11-14-5-7-19-8-6-14)18(24)17-10-16(25-20-17)13-21-9-3-4-15(23)12-21/h5-8,10,15,23H,2-4,9,11-13H2,1H3/t15-/m0/s1.
What are the key properties of N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95221283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).