2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide

C23H34N4O3 — CID 42855841

IUPAC2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide
SMILESCCC(C)CNC(=O)c1coc(CN2CCN(CC(O)Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H34N4O3/c1-3-18(2)14-24-23(29)21-17-30-22(25-21)16-27-11-9-26(10-12-27)15-20(28)13-19-7-5-4-6-8-19/h4-8,17-18,20,28H,3,9-16H2,1-2H3,(H,24,29)
InChIKeyLWKUQNBAHIARPG-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.17
Rot. Bonds10

About 2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide

2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide (PubChem CID 42855841) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide
PubChem CID42855841
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide
SMILESCCC(C)CNC(=O)c1coc(CN2CCN(CC(O)Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H34N4O3/c1-3-18(2)14-24-23(29)21-17-30-22(25-21)16-27-11-9-26(10-12-27)15-20(28)13-19-7-5-4-6-8-19/h4-8,17-18,20,28H,3,9-16H2,1-2H3,(H,24,29)
InChIKeyLWKUQNBAHIARPG-UHFFFAOYSA-N
XLogP2.17
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methyl]-N-[(2S)-2-methylbutyl]-1,3-oxazole-4-carboxamide
CID 92986370
2-[[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide
CID 46051304
N-[(4-fluorophenyl)methyl]-2-[[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986347
N-benzyl-2-[[4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986094
[4-(2-ethylphenyl)piperazin-1-yl]-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051481
2-[[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 92986413
2-[[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 92986274
N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 42856016
2-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 92986536
(4-benzylpiperazin-1-yl)-[2-[[4-[(2S)-2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986576
N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-hydroxybutyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051215
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 42856210

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide (CID 42855841) is 2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide is CCC(C)CNC(=O)c1coc(CN2CCN(CC(O)Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LWKUQNBAHIARPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-3-18(2)14-24-23(29)21-17-30-22(25-21)16-27-11-9-26(10-12-27)15-20(28)13-19-7-5-4-6-8-19/h4-8,17-18,20,28H,3,9-16H2,1-2H3,(H,24,29).
What are the key properties of 2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide?
2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42855841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).