N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

C23H27N5O2 — CID 42856415

IUPACN-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1coc(CN2CCN(Cc3cccnc3)CC2)n1
InChIInChI=1S/C23H27N5O2/c1-26(15-19-6-3-2-4-7-19)23(29)21-18-30-22(25-21)17-28-12-10-27(11-13-28)16-20-8-5-9-24-14-20/h2-9,14,18H,10-13,15-17H2,1H3
InChIKeyJRFXNAIWLDJXKY-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.66
Rot. Bonds7

About N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42856415) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42856415
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1coc(CN2CCN(Cc3cccnc3)CC2)n1
InChIInChI=1S/C23H27N5O2/c1-26(15-19-6-3-2-4-7-19)23(29)21-18-30-22(25-21)17-28-12-10-27(11-13-28)16-20-8-5-9-24-14-20/h2-9,14,18H,10-13,15-17H2,1H3
InChIKeyJRFXNAIWLDJXKY-UHFFFAOYSA-N
XLogP2.66
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856349
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42519824
N-benzyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 25482555
N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56702419
N-cyclohexyl-N-methyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856464
N-(2-hydroxypropyl)-N-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 56760039
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 42856210
[2-[(4-benzylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone
CID 56722454
2-[(4-benzylpiperazin-1-yl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-oxazole-4-carboxamide
CID 30675465
N-benzyl-2-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42834478
2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]-N-methyl-N-propyl-1,3-oxazole-4-carboxamide
CID 42856425
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45190486

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 42856415) is N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is CN(Cc1ccccc1)C(=O)c1coc(CN2CCN(Cc3cccnc3)CC2)n1.
What is the InChIKey of N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JRFXNAIWLDJXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-26(15-19-6-3-2-4-7-19)23(29)21-18-30-22(25-21)17-28-12-10-27(11-13-28)16-20-8-5-9-24-14-20/h2-9,14,18H,10-13,15-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42856415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).