3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride

C19H28Cl2N4O2 — CID 119391777

IUPAC3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride
SMILESCl.Cl.O=C(CCc1ncc(-c2ccccc2)o1)NCCCN1CCNCC1
InChIInChI=1S/C19H26N4O2.2ClH/c24-18(21-9-4-12-23-13-10-20-11-14-23)7-8-19-22-15-17(25-19)16-5-2-1-3-6-16;;/h1-3,5-6,15,20H,4,7-14H2,(H,21,24);2*1H
InChIKeyAGDGZGBWDGNZQT-UHFFFAOYSA-N
MW415.37 g/mol
LogP2.53
Rot. Bonds8

About 3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride

3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride (PubChem CID 119391777) has the molecular formula C19H28Cl2N4O2 and a molecular weight of 415.37 g/mol. Its IUPAC name is 3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride
PubChem CID119391777
Molecular FormulaC19H28Cl2N4O2
Molecular Weight415.37 g/mol
Exact Mass414.16
IUPAC Name3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride
SMILESCl.Cl.O=C(CCc1ncc(-c2ccccc2)o1)NCCCN1CCNCC1
InChIInChI=1S/C19H26N4O2.2ClH/c24-18(21-9-4-12-23-13-10-20-11-14-23)7-8-19-22-15-17(25-19)16-5-2-1-3-6-16;;/h1-3,5-6,15,20H,4,7-14H2,(H,21,24);2*1H
InChIKeyAGDGZGBWDGNZQT-UHFFFAOYSA-N
XLogP2.53
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 52.53
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

4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119390880
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119446701
N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18138486
N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717679
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 35418539
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride
CID 119556270
N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119505974
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446392
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
3-[2-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]ethyldisulfanyl]propanoic acid
CID 166422727
4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119533664

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride?
The IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride (CID 119391777) is 3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride.
What is the SMILES notation for 3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride?
The canonical SMILES for 3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride is Cl.Cl.O=C(CCc1ncc(-c2ccccc2)o1)NCCCN1CCNCC1.
What is the InChIKey of 3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride?
The InChIKey is AGDGZGBWDGNZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.2ClH/c24-18(21-9-4-12-23-13-10-20-11-14-23)7-8-19-22-15-17(25-19)16-5-2-1-3-6-16;;/h1-3,5-6,15,20H,4,7-14H2,(H,21,24);2*1H.
What are the key properties of 3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride?
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride has a molecular weight of 415.37 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride is sourced from PubChem (CID 119391777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).