N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

C23H18ClN3O3 — CID 50746167

IUPACN-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C23H18ClN3O3/c1-15-6-4-7-16(12-15)22-26-23(30-27-22)19-10-2-3-11-20(19)29-14-21(28)25-18-9-5-8-17(24)13-18/h2-13H,14H2,1H3,(H,25,28)
InChIKeyAXNQSOLAXLGLAE-UHFFFAOYSA-N
MW419.87 g/mol
LogP5.38
Rot. Bonds6

About N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 50746167) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
PubChem CID50746167
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C23H18ClN3O3/c1-15-6-4-7-16(12-15)22-26-23(30-27-22)19-10-2-3-11-20(19)29-14-21(28)25-18-9-5-8-17(24)13-18/h2-13H,14H2,1H3,(H,25,28)
InChIKeyAXNQSOLAXLGLAE-UHFFFAOYSA-N
XLogP5.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.87
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032393
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-pyrimidin-2-ylacetamide
CID 50746144
N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746105
N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032399
N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 50745782
N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746040
N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide
CID 35521831
2-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032408
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50746017

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 50746167) is N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The InChIKey is AXNQSOLAXLGLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-15-6-4-7-16(12-15)22-26-23(30-27-22)19-10-2-3-11-20(19)29-14-21(28)25-18-9-5-8-17(24)13-18/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 419.87 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 50746167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).