3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride

C12H21ClN4O2 — CID 119394236

IUPAC3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCCCN2CCNCC2)on1.Cl
InChIInChI=1S/C12H20N4O2.ClH/c1-10-9-11(18-15-10)12(17)14-3-2-6-16-7-4-13-5-8-16;/h9,13H,2-8H2,1H3,(H,14,17);1H
InChIKeyYIHWJPGSJULIQP-UHFFFAOYSA-N
MW288.78 g/mol
LogP0.43
Rot. Bonds5

About 3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride

3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride (PubChem CID 119394236) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
PubChem CID119394236
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCCCN2CCNCC2)on1.Cl
InChIInChI=1S/C12H20N4O2.ClH/c1-10-9-11(18-15-10)12(17)14-3-2-6-16-7-4-13-5-8-16;/h9,13H,2-8H2,1H3,(H,14,17);1H
InChIKeyYIHWJPGSJULIQP-UHFFFAOYSA-N
XLogP0.43
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide
CID 119393897
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46447531
5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 119392043
6-methyl-N-(3-piperazin-1-ylpropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119392497
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 130266249
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 141146127
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119447776
3-(2,6-dichlorophenyl)-5-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 119391714

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride (CID 119394236) is 3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride is Cc1cc(C(=O)NCCCN2CCNCC2)on1.Cl.
What is the InChIKey of 3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride?
The InChIKey is YIHWJPGSJULIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.ClH/c1-10-9-11(18-15-10)12(17)14-3-2-6-16-7-4-13-5-8-16;/h9,13H,2-8H2,1H3,(H,14,17);1H.
What are the key properties of 3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride?
3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119394236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).