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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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).