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

C13H17ClN4O2 — CID 120597666

IUPAC2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1ncon1.Cl
InChIInChI=1S/C13H16N4O2.ClH/c1-9(11-15-8-19-17-11)16-12(18)13(2,14)10-6-4-3-5-7-10;/h3-9H,14H2,1-2H3,(H,16,18);1H
InChIKeyDAWRDUUSUMMREJ-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.54
Rot. Bonds4

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

2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120597666) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride
PubChem CID120597666
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1ncon1.Cl
InChIInChI=1S/C13H16N4O2.ClH/c1-9(11-15-8-19-17-11)16-12(18)13(2,14)10-6-4-3-5-7-10;/h3-9H,14H2,1-2H3,(H,16,18);1H
InChIKeyDAWRDUUSUMMREJ-UHFFFAOYSA-N
XLogP1.54
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-N-[1-(furan-2-yl)ethyl]-2-phenylpropanamide
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2-amino-N-[1-(2-methylphenyl)ethyl]-2-phenylpropanamide;hydrochloride
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2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
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2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
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2-amino-N-[1-(2-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 120586910
2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
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2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide
CID 62488935
2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide
CID 62489274

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride (CID 120597666) is 2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride is CC(NC(=O)C(C)(N)c1ccccc1)c1ncon1.Cl.
What is the InChIKey of 2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is DAWRDUUSUMMREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2.ClH/c1-9(11-15-8-19-17-11)16-12(18)13(2,14)10-6-4-3-5-7-10;/h3-9H,14H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 296.76 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120597666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).