3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide

C17H22N4O2 — CID 119393897

IUPAC3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C17H22N4O2/c22-17(19-7-4-10-21-11-8-18-9-12-21)16-13-15(20-23-16)14-5-2-1-3-6-14/h1-3,5-6,13,18H,4,7-12H2,(H,19,22)
InChIKeyHFMTWUQCJXUMBN-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.37
Rot. Bonds6

About 3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide

3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 119393897) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID119393897
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C17H22N4O2/c22-17(19-7-4-10-21-11-8-18-9-12-21)16-13-15(20-23-16)14-5-2-1-3-6-14/h1-3,5-6,13,18H,4,7-12H2,(H,19,22)
InChIKeyHFMTWUQCJXUMBN-UHFFFAOYSA-N
XLogP1.37
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.37
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-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119394236
N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262543
N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262550
5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 119392506
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46447531
5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
CID 119392648
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119394197
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
CID 119391210

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide (CID 119393897) is 3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide is O=C(NCCCN1CCNCC1)c1cc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is HFMTWUQCJXUMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(19-7-4-10-21-11-8-18-9-12-21)16-13-15(20-23-16)14-5-2-1-3-6-14/h1-3,5-6,13,18H,4,7-12H2,(H,19,22).
What are the key properties of 3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide?
3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 119393897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).