N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride

C15H21ClN4O3 — CID 120867875

IUPACN-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride
SMILESCNC(C)Cc1noc(CNC(=O)COc2ccccc2)n1.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-11(16-2)8-13-18-15(22-19-13)9-17-14(20)10-21-12-6-4-3-5-7-12;/h3-7,11,16H,8-10H2,1-2H3,(H,17,20);1H
InChIKeyWTDUMNXLGYEUQY-UHFFFAOYSA-N
MW340.81 g/mol
LogP1.34
Rot. Bonds8

About N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride

N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride (PubChem CID 120867875) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride
PubChem CID120867875
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC NameN-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride
SMILESCNC(C)Cc1noc(CNC(=O)COc2ccccc2)n1.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-11(16-2)8-13-18-15(22-19-13)9-17-14(20)10-21-12-6-4-3-5-7-12;/h3-7,11,16H,8-10H2,1-2H3,(H,17,20);1H
InChIKeyWTDUMNXLGYEUQY-UHFFFAOYSA-N
XLogP1.34
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 120864901
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120834184
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351995
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide
CID 56687229
N-methyl-1-[5-[2-(4-methylsulfonylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868199
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850
1-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-nitrophenyl)methyl]urea;hydrochloride
CID 120867059
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenoxybutanamide
CID 91794306
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenoxyacetamide
CID 50755906
(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 92903063
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17358710

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride?
The IUPAC name of N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride (CID 120867875) is N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride.
What is the SMILES notation for N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride?
The canonical SMILES for N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride is CNC(C)Cc1noc(CNC(=O)COc2ccccc2)n1.Cl.
What is the InChIKey of N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride?
The InChIKey is WTDUMNXLGYEUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.ClH/c1-11(16-2)8-13-18-15(22-19-13)9-17-14(20)10-21-12-6-4-3-5-7-12;/h3-7,11,16H,8-10H2,1-2H3,(H,17,20);1H.
What are the key properties of N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride?
N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride is sourced from PubChem (CID 120867875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).