2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride

C13H17ClN4O2 — CID 120834184

IUPAC2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1nc(CCc2ccccc2)no1
InChIInChI=1S/C13H16N4O2.ClH/c14-8-12(18)15-9-13-16-11(17-19-13)7-6-10-4-2-1-3-5-10;/h1-5H,6-9,14H2,(H,15,18);1H
InChIKeyUVQVQVXLWFECKJ-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.85
Rot. Bonds6

About 2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride

2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride (PubChem CID 120834184) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
PubChem CID120834184
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1nc(CCc2ccccc2)no1
InChIInChI=1S/C13H16N4O2.ClH/c14-8-12(18)15-9-13-16-11(17-19-13)7-6-10-4-2-1-3-5-10;/h1-5H,6-9,14H2,(H,15,18);1H
InChIKeyUVQVQVXLWFECKJ-UHFFFAOYSA-N
XLogP0.85
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120841335
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 119041788
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 61385000
3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767874
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871
2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120833829
N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride
CID 120867875
N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 50754812
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride
CID 119947668
5-(chloromethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole
CID 61384973
2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258677
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 50755093

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride (CID 120834184) is 2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride is Cl.NCC(=O)NCc1nc(CCc2ccccc2)no1.
What is the InChIKey of 2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
The InChIKey is UVQVQVXLWFECKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2.ClH/c14-8-12(18)15-9-13-16-11(17-19-13)7-6-10-4-2-1-3-5-10;/h1-5H,6-9,14H2,(H,15,18);1H.
What are the key properties of 2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride has a molecular weight of 296.76 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120834184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).