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

C14H19ClN4O3 — CID 119945957

IUPAC2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride
SMILESCOC(C)c1noc(CN(C)C(=O)c2ccccc2N)n1.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-9(20-3)13-16-12(21-17-13)8-18(2)14(19)10-6-4-5-7-11(10)15;/h4-7,9H,8,15H2,1-3H3;1H
InChIKeyRQTFROVZWZWFDB-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.05
Rot. Bonds5

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

2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride (PubChem CID 119945957) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride
PubChem CID119945957
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride
SMILESCOC(C)c1noc(CN(C)C(=O)c2ccccc2N)n1.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-9(20-3)13-16-12(21-17-13)8-18(2)14(19)10-6-4-5-7-11(10)15;/h4-7,9H,8,15H2,1-3H3;1H
InChIKeyRQTFROVZWZWFDB-UHFFFAOYSA-N
XLogP2.05
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026418
(2S)-2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119818603
3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 95787655
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
cis-(1S,2R)-2-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132563
3-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119818597
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 79613895
5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
CID 119186927
3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982124
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
6-chloro-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazin-2-amine
CID 71980285

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of 2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride (CID 119945957) is 2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride is COC(C)c1noc(CN(C)C(=O)c2ccccc2N)n1.Cl.
What is the InChIKey of 2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride?
The InChIKey is RQTFROVZWZWFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3.ClH/c1-9(20-3)13-16-12(21-17-13)8-18(2)14(19)10-6-4-5-7-11(10)15;/h4-7,9H,8,15H2,1-3H3;1H.
What are the key properties of 2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride?
2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride has a molecular weight of 326.78 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119945957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).