2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide

C11H11ClN4O3 — CID 82358212

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nonc2N)cc1Cl
InChIInChI=1S/C11H11ClN4O3/c1-18-9-3-2-6(4-7(9)12)14-10(17)5-8-11(13)16-19-15-8/h2-4H,5H2,1H3,(H2,13,16)(H,14,17)
InChIKeyLJCLYPJBXZCUIQ-UHFFFAOYSA-N
MW282.69 g/mol
LogP1.50
Rot. Bonds4

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 82358212) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID82358212
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nonc2N)cc1Cl
InChIInChI=1S/C11H11ClN4O3/c1-18-9-3-2-6(4-7(9)12)14-10(17)5-8-11(13)16-19-15-8/h2-4H,5H2,1H3,(H2,13,16)(H,14,17)
InChIKeyLJCLYPJBXZCUIQ-UHFFFAOYSA-N
XLogP1.50
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982732
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2391050
N-(3-chloro-4-methoxyphenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 23833280
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811787
4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 17085500

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide (CID 82358212) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cc2nonc2N)cc1Cl.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is LJCLYPJBXZCUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-18-9-3-2-6(4-7(9)12)14-10(17)5-8-11(13)16-19-15-8/h2-4H,5H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 282.69 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 82358212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).