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

C12H15ClN4O2 — CID 71829637

IUPAC2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C12H14N4O2.ClH/c13-7-11(17)14-8-12-15-10(16-18-12)6-9-4-2-1-3-5-9;/h1-5H,6-8,13H2,(H,14,17);1H
InChIKeyCXMCQSFKDDTDQE-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.66
Rot. Bonds5

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

2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride (PubChem CID 71829637) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride
PubChem CID71829637
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C12H14N4O2.ClH/c13-7-11(17)14-8-12-15-10(16-18-12)6-9-4-2-1-3-5-9;/h1-5H,6-8,13H2,(H,14,17);1H
InChIKeyCXMCQSFKDDTDQE-UHFFFAOYSA-N
XLogP0.66
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride (CID 71829637) is 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride is Cl.NCC(=O)NCc1nc(Cc2ccccc2)no1.
What is the InChIKey of 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride?
The InChIKey is CXMCQSFKDDTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.ClH/c13-7-11(17)14-8-12-15-10(16-18-12)6-9-4-2-1-3-5-9;/h1-5H,6-8,13H2,(H,14,17);1H.
What are the key properties of 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride?
2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride has a molecular weight of 282.73 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 71829637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).