1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone

C17H12Cl2N2O3 — CID 38859705

IUPAC1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)ccc1OCc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H12Cl2N2O3/c1-10(22)13-8-11(18)6-7-15(13)23-9-16-20-17(24-21-16)12-4-2-3-5-14(12)19/h2-8H,9H2,1H3
InChIKeyLPGOABMLFFHRPH-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.82
Rot. Bonds5

About 1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone

1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone (PubChem CID 38859705) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone
PubChem CID38859705
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)ccc1OCc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H12Cl2N2O3/c1-10(22)13-8-11(18)6-7-15(13)23-9-16-20-17(24-21-16)12-4-2-3-5-14(12)19/h2-8H,9H2,1H3
InChIKeyLPGOABMLFFHRPH-UHFFFAOYSA-N
XLogP4.82
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone with MolForge

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Related Compounds

5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 42692313
5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide
CID 43038748
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate
CID 55545324
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55551681
5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 53055879
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate
CID 55552084
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
5-(2-chlorophenyl)-3-[(3-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 38900817
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid
CID 43245176
5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692446
1-[3-methoxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 86992137
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 31530881

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone (CID 38859705) is 1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone is CC(=O)c1cc(Cl)ccc1OCc1noc(-c2ccccc2Cl)n1.
What is the InChIKey of 1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone?
The InChIKey is LPGOABMLFFHRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-10(22)13-8-11(18)6-7-15(13)23-9-16-20-17(24-21-16)12-4-2-3-5-14(12)19/h2-8H,9H2,1H3.
What are the key properties of 1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone?
1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone has a molecular weight of 363.20 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 38859705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).