N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride

C22H26Cl2FN3O2 — CID 120886717

IUPACN-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C22H24FN3O2.2ClH/c23-19-9-5-4-8-18(19)20-16-25-21(28-20)10-11-22(27)26(15-13-24)14-12-17-6-2-1-3-7-17;;/h1-9,16H,10-15,24H2;2*1H
InChIKeyXQTZORMRWUBNCJ-UHFFFAOYSA-N
MW454.37 g/mol
LogP4.29
Rot. Bonds9

About N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride

N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride (PubChem CID 120886717) has the molecular formula C22H26Cl2FN3O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride
PubChem CID120886717
Molecular FormulaC22H26Cl2FN3O2
Molecular Weight454.37 g/mol
Exact Mass453.14
IUPAC NameN-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C22H24FN3O2.2ClH/c23-19-9-5-4-8-18(19)20-16-25-21(28-20)10-11-22(27)26(15-13-24)14-12-17-6-2-1-3-7-17;;/h1-9,16H,10-15,24H2;2*1H
InChIKeyXQTZORMRWUBNCJ-UHFFFAOYSA-N
XLogP4.29
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120885211
N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872218
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)propanamide
CID 86943481
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
CID 16590817
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695986
N-[2-(dimethylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78882579
N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886931
2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid
CID 119347414
N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18137368
N-ethyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16596466

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride (CID 120886717) is N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride is Cl.Cl.NCCN(CCc1ccccc1)C(=O)CCc1ncc(-c2ccccc2F)o1.
What is the InChIKey of N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride?
The InChIKey is XQTZORMRWUBNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2.2ClH/c23-19-9-5-4-8-18(19)20-16-25-21(28-20)10-11-22(27)26(15-13-24)14-12-17-6-2-1-3-7-17;;/h1-9,16H,10-15,24H2;2*1H.
What are the key properties of N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride?
N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride has a molecular weight of 454.37 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride is sourced from PubChem (CID 120886717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).