2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C12H12ClN3O3 — CID 17012560

IUPAC2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2nonc2C)ccc1Cl
InChIInChI=1S/C12H12ClN3O3/c1-7-5-9(3-4-10(7)13)18-6-11(17)14-12-8(2)15-19-16-12/h3-5H,6H2,1-2H3,(H,14,16,17)
InChIKeyMBEVSPGAUDYIRH-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.36
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 17012560) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID17012560
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2nonc2C)ccc1Cl
InChIInChI=1S/C12H12ClN3O3/c1-7-5-9(3-4-10(7)13)18-6-11(17)14-12-8(2)15-19-16-12/h3-5H,6H2,1-2H3,(H,14,16,17)
InChIKeyMBEVSPGAUDYIRH-UHFFFAOYSA-N
XLogP2.36
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109443
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
N-(5-bromo-2-pyridinyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 1224606
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide
CID 4047149
N-(4-amino-2-chloro-6-methylphenyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 100828362
2-(4-chloro-3-methylphenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 38905946
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
N-(2-amino-6-methylphenyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 43376738

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 17012560) is 2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1cc(OCC(=O)Nc2nonc2C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is MBEVSPGAUDYIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c1-7-5-9(3-4-10(7)13)18-6-11(17)14-12-8(2)15-19-16-12/h3-5H,6H2,1-2H3,(H,14,16,17).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 281.70 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 17012560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).