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

C14H19ClN4O2 — CID 119340827

IUPAC(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@H](C)N)c1noc(Cc2ccccc2)n1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-9(15)14(19)16-10(2)13-17-12(20-18-13)8-11-6-4-3-5-7-11;/h3-7,9-10H,8,15H2,1-2H3,(H,16,19);1H/t9-,10?;/m0./s1
InChIKeyPDWCLYPUCAFZOG-KKFCBZOWSA-N
MW310.79 g/mol
LogP1.61
Rot. Bonds5

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

(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride (PubChem CID 119340827) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
PubChem CID119340827
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@H](C)N)c1noc(Cc2ccccc2)n1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-9(15)14(19)16-10(2)13-17-12(20-18-13)8-11-6-4-3-5-7-11;/h3-7,9-10H,8,15H2,1-2H3,(H,16,19);1H/t9-,10?;/m0./s1
InChIKeyPDWCLYPUCAFZOG-KKFCBZOWSA-N
XLogP1.61
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340836
3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119952323
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-[(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-hydroxypyridine-4-carboxamide
CID 84595307
1-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111861288
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
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 154877094
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide
CID 71923906

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride (CID 119340827) is (2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride is CC(NC(=O)[C@H](C)N)c1noc(Cc2ccccc2)n1.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride?
The InChIKey is PDWCLYPUCAFZOG-KKFCBZOWSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-9(15)14(19)16-10(2)13-17-12(20-18-13)8-11-6-4-3-5-7-11;/h3-7,9-10H,8,15H2,1-2H3,(H,16,19);1H/t9-,10?;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride?
(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119340827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).