3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride

C20H23ClN4O2 — CID 119952323

IUPAC3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)CC(N)c1ccccc1)c1noc(Cc2ccccc2)n1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-14(22-18(25)13-17(21)16-10-6-3-7-11-16)20-23-19(26-24-20)12-15-8-4-2-5-9-15;/h2-11,14,17H,12-13,21H2,1H3,(H,22,25);1H
InChIKeyYOTFNBSIXZCRGJ-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.35
Rot. Bonds7

About 3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119952323) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119952323
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)CC(N)c1ccccc1)c1noc(Cc2ccccc2)n1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-14(22-18(25)13-17(21)16-10-6-3-7-11-16)20-23-19(26-24-20)12-15-8-4-2-5-9-15;/h2-11,14,17H,12-13,21H2,1H3,(H,22,25);1H
InChIKeyYOTFNBSIXZCRGJ-UHFFFAOYSA-N
XLogP3.35
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
CID 119340827
(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340836
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 96559452
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119813753
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 96559454
1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61326226
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide
CID 84595307
1-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111861288
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 71976229
(2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637714
(2S,5R)-5-(aminomethyl)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 120795854

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride (CID 119952323) is 3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride is CC(NC(=O)CC(N)c1ccccc1)c1noc(Cc2ccccc2)n1.Cl.
What is the InChIKey of 3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is YOTFNBSIXZCRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-14(22-18(25)13-17(21)16-10-6-3-7-11-16)20-23-19(26-24-20)12-15-8-4-2-5-9-15;/h2-11,14,17H,12-13,21H2,1H3,(H,22,25);1H.
What are the key properties of 3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119952323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).