N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide

C18H24N4O3 — CID 92611232

IUPACN-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOCCNC(=O)c1cc([C@H]2CCCN(Cc3ccncc3)C2)no1
InChIInChI=1S/C18H24N4O3/c1-24-10-8-20-18(23)17-11-16(21-25-17)15-3-2-9-22(13-15)12-14-4-6-19-7-5-14/h4-7,11,15H,2-3,8-10,12-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyCDNSWPXNSCXWSO-HNNXBMFYSA-N
MW344.42 g/mol
LogP1.83
Rot. Bonds7

About N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide

N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92611232) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID92611232
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOCCNC(=O)c1cc([C@H]2CCCN(Cc3ccncc3)C2)no1
InChIInChI=1S/C18H24N4O3/c1-24-10-8-20-18(23)17-11-16(21-25-17)15-3-2-9-22(13-15)12-14-4-6-19-7-5-14/h4-7,11,15H,2-3,8-10,12-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyCDNSWPXNSCXWSO-HNNXBMFYSA-N
XLogP1.83
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596082
N-[(4-methoxyphenyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228971
3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92601835
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 110229053
N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92611211
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92568136
3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92578159
N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229025
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
N-[(4-methoxyphenyl)methyl]-3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596071
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110229030
3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 95813060

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 92611232) is N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccncc3)C2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is CDNSWPXNSCXWSO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-24-10-8-20-18(23)17-11-16(21-25-17)15-3-2-9-22(13-15)12-14-4-6-19-7-5-14/h4-7,11,15H,2-3,8-10,12-13H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92611232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).