2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

C24H28N4O2 — CID 42850919

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1coc(CN2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H28N4O2/c29-24(26-13-9-21-8-4-5-12-25-21)22-18-30-23(27-22)17-28-14-10-20(11-15-28)16-19-6-2-1-3-7-19/h1-8,12,18,20H,9-11,13-17H2,(H,26,29)
InChIKeyBVAXSTDOLUVGRC-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.50
Rot. Bonds8

About 2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42850919) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID42850919
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1coc(CN2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H28N4O2/c29-24(26-13-9-21-8-4-5-12-25-21)22-18-30-23(27-22)17-28-14-10-20(11-15-28)16-19-6-2-1-3-7-19/h1-8,12,18,20H,9-11,13-17H2,(H,26,29)
InChIKeyBVAXSTDOLUVGRC-UHFFFAOYSA-N
XLogP3.50
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850917
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 42856210
1-[4-[2-[(4-benzylpiperidin-1-yl)methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 46043550
2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 29088068
2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42834517
2-[[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42834790
5-[(4-methylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42850852
2-(1-amino-2-phenylethyl)-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 3807301
2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134696518
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
2-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 15236278
N-cyclohexyl-N-methyl-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856476

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (CID 42850919) is 2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is O=C(NCCc1ccccn1)c1coc(CN2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is BVAXSTDOLUVGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-24(26-13-9-21-8-4-5-12-25-21)22-18-30-23(27-22)17-28-14-10-20(11-15-28)16-19-6-2-1-3-7-19/h1-8,12,18,20H,9-11,13-17H2,(H,26,29).
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42850919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).