N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride

C15H21Cl2N3O2 — CID 119383262

IUPACN-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
SMILESCc1nc(CCC(=O)NCCN)oc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C15H19N3O2.2ClH/c1-11-15(12-5-3-2-4-6-12)20-14(18-11)8-7-13(19)17-10-9-16;;/h2-6H,7-10,16H2,1H3,(H,17,19);2*1H
InChIKeyWFAWAMQVWGFMGH-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.50
Rot. Bonds6

About N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride

N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride (PubChem CID 119383262) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
PubChem CID119383262
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC NameN-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
SMILESCc1nc(CCC(=O)NCCN)oc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C15H19N3O2.2ClH/c1-11-15(12-5-3-2-4-6-12)20-14(18-11)8-7-13(19)17-10-9-16;;/h2-6H,7-10,16H2,1H3,(H,17,19);2*1H
InChIKeyWFAWAMQVWGFMGH-UHFFFAOYSA-N
XLogP2.50
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)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-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119996718
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119526054
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446392
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120944811
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119598473
N-(2-amino-1-cyclopropylethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 119614530
N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 111425792
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 86897016
4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230028
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide
CID 119451162
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119423293
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride
CID 120576879

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride (CID 119383262) is N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride is Cc1nc(CCC(=O)NCCN)oc1-c1ccccc1.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
The InChIKey is WFAWAMQVWGFMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.2ClH/c1-11-15(12-5-3-2-4-6-12)20-14(18-11)8-7-13(19)17-10-9-16;;/h2-6H,7-10,16H2,1H3,(H,17,19);2*1H.
What are the key properties of N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride?
N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119383262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).