N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide

C19H26N4O2 — CID 46447531

IUPACN-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)on1
InChIInChI=1S/C19H26N4O2/c1-16-14-18(25-21-16)19(24)20-8-5-9-22-10-12-23(13-11-22)15-17-6-3-2-4-7-17/h2-4,6-7,14H,5,8-13,15H2,1H3,(H,20,24)
InChIKeyUKPKZCYPAAHVJT-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.92
Rot. Bonds7

About N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 46447531) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID46447531
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)on1
InChIInChI=1S/C19H26N4O2/c1-16-14-18(25-21-16)19(24)20-8-5-9-22-10-12-23(13-11-22)15-17-6-3-2-4-7-17/h2-4,6-7,14H,5,8-13,15H2,1H3,(H,20,24)
InChIKeyUKPKZCYPAAHVJT-UHFFFAOYSA-N
XLogP1.92
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119394236
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55633954
3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide
CID 119393897
N-[3-(4-benzylpiperazin-1-yl)propyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78866653
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
N-[3-(4-benzylpiperazin-1-yl)propyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010295
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879466
N-[3-(4-benzylpiperazin-1-yl)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634446
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962
2-[3-(4-benzylpiperazin-1-yl)propylcarbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 52624384
N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide
CID 46388331

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 46447531) is N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)on1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is UKPKZCYPAAHVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-16-14-18(25-21-16)19(24)20-8-5-9-22-10-12-23(13-11-22)15-17-6-3-2-4-7-17/h2-4,6-7,14H,5,8-13,15H2,1H3,(H,20,24).
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46447531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).