3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride

C19H27Cl2N3O2 — CID 119556270

IUPAC3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride
SMILESCl.Cl.O=C(CCc1ncc(-c2ccccc2)o1)NCCC1CCCNC1
InChIInChI=1S/C19H25N3O2.2ClH/c23-18(21-12-10-15-5-4-11-20-13-15)8-9-19-22-14-17(24-19)16-6-2-1-3-7-16;;/h1-3,6-7,14-15,20H,4-5,8-13H2,(H,21,23);2*1H
InChIKeyIMMBXMZOZDAYFY-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.62
Rot. Bonds7

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

3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride (PubChem CID 119556270) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is 3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride
PubChem CID119556270
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC Name3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride
SMILESCl.Cl.O=C(CCc1ncc(-c2ccccc2)o1)NCCC1CCCNC1
InChIInChI=1S/C19H25N3O2.2ClH/c23-18(21-12-10-15-5-4-11-20-13-15)8-9-19-22-14-17(24-19)16-6-2-1-3-7-16;;/h1-3,6-7,14-15,20H,4-5,8-13H2,(H,21,23);2*1H
InChIKeyIMMBXMZOZDAYFY-UHFFFAOYSA-N
XLogP3.62
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119533664
4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride
CID 119460102
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)propanamide
CID 119459738
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535420
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 119391777
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide
CID 119556464
N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18138486
N-(2-piperidin-3-ylethyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119555094
N-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717389
N-[2-(cyclohexen-1-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30133292

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride?
The IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride (CID 119556270) is 3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride.
What is the SMILES notation for 3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride?
The canonical SMILES for 3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride is Cl.Cl.O=C(CCc1ncc(-c2ccccc2)o1)NCCC1CCCNC1.
What is the InChIKey of 3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride?
The InChIKey is IMMBXMZOZDAYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c23-18(21-12-10-15-5-4-11-20-13-15)8-9-19-22-14-17(24-19)16-6-2-1-3-7-16;;/h1-3,6-7,14-15,20H,4-5,8-13H2,(H,21,23);2*1H.
What are the key properties of 3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride?
3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride is sourced from PubChem (CID 119556270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).