N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride

C16H23Cl2N3O2 — CID 119505974

IUPACN-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
SMILESCCNCCNC(=O)CCc1ncc(-c2ccccc2)o1.Cl.Cl
InChIInChI=1S/C16H21N3O2.2ClH/c1-2-17-10-11-18-15(20)8-9-16-19-12-14(21-16)13-6-4-3-5-7-13;;/h3-7,12,17H,2,8-11H2,1H3,(H,18,20);2*1H
InChIKeyUZDOAPKLWZSXHC-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.84
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride

N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride (PubChem CID 119505974) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
PubChem CID119505974
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC NameN-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
SMILESCCNCCNC(=O)CCc1ncc(-c2ccccc2)o1.Cl.Cl
InChIInChI=1S/C16H21N3O2.2ClH/c1-2-17-10-11-18-15(20)8-9-16-19-12-14(21-16)13-6-4-3-5-7-13;;/h3-7,12,17H,2,8-11H2,1H3,(H,18,20);2*1H
InChIKeyUZDOAPKLWZSXHC-UHFFFAOYSA-N
XLogP2.84
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119506652
N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18138486
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[2-(2-methoxyethoxy)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 86985390
3-[2-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]ethyldisulfanyl]propanoic acid
CID 166422727
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 75456489
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
N-[2-(3-fluorophenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 29478716
N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 60565951

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride (CID 119505974) is N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride is CCNCCNC(=O)CCc1ncc(-c2ccccc2)o1.Cl.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The InChIKey is UZDOAPKLWZSXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.2ClH/c1-2-17-10-11-18-15(20)8-9-16-19-12-14(21-16)13-6-4-3-5-7-13;;/h3-7,12,17H,2,8-11H2,1H3,(H,18,20);2*1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119505974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).