2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide

C24H28N4O3 — CID 29088068

IUPAC2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H28N4O3/c29-21-8-6-19(7-9-21)10-11-25-24(30)22-18-31-23(26-22)17-28-14-12-27(13-15-28)16-20-4-2-1-3-5-20/h1-9,18,29H,10-17H2,(H,25,30)
InChIKeyQMRRQLDOPFCPLP-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.67
Rot. Bonds8

About 2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide

2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 29088068) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID29088068
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H28N4O3/c29-21-8-6-19(7-9-21)10-11-25-24(30)22-18-31-23(26-22)17-28-14-12-27(13-15-28)16-20-4-2-1-3-5-20/h1-9,18,29H,10-17H2,(H,25,30)
InChIKeyQMRRQLDOPFCPLP-UHFFFAOYSA-N
XLogP2.67
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 42856210
2-[(4-benzylpiperazin-1-yl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-oxazole-4-carboxamide
CID 30675465
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850919
2-[[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 46051837
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850917
2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 46051831
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301
2-[[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 92986274
N-[(4-fluorophenyl)methyl]-2-[[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986347
2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 4596847
[2-[(4-benzylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone
CID 56722454
(4-benzylpiperazin-1-yl)-[2-[[4-(furan-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856327

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 29088068) is 2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide is O=C(NCCc1ccc(O)cc1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is QMRRQLDOPFCPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-21-8-6-19(7-9-21)10-11-25-24(30)22-18-31-23(26-22)17-28-14-12-27(13-15-28)16-20-4-2-1-3-5-20/h1-9,18,29H,10-17H2,(H,25,30).
What are the key properties of 2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 29088068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).