1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone

C17H13Cl3N2O3 — CID 92715520

IUPAC1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@@H]1c1ccccc1Cl
InChIInChI=1S/C17H13Cl3N2O3/c1-10(23)22-17(12-4-2-3-5-13(12)19)25-16(21-22)9-24-15-7-6-11(18)8-14(15)20/h2-8,17H,9H2,1H3/t17-/m1/s1
InChIKeyBKJGRYNDKUOFLK-QGZVFWFLSA-N
MW399.66 g/mol
LogP4.92
Rot. Bonds4

About 1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 92715520) has the molecular formula C17H13Cl3N2O3 and a molecular weight of 399.66 g/mol. Its IUPAC name is 1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID92715520
Molecular FormulaC17H13Cl3N2O3
Molecular Weight399.66 g/mol
Exact Mass398.00
IUPAC Name1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@@H]1c1ccccc1Cl
InChIInChI=1S/C17H13Cl3N2O3/c1-10(23)22-17(12-4-2-3-5-13(12)19)25-16(21-22)9-24-15-7-6-11(18)8-14(15)20/h2-8,17H,9H2,1H3/t17-/m1/s1
InChIKeyBKJGRYNDKUOFLK-QGZVFWFLSA-N
XLogP4.92
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.66
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone with MolForge

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Related Compounds

1-[5-[(4-chloro-2-methylphenoxy)methyl]-2-(furan-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 20930161
[2-[(2S)-3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 95074448
1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53019736
1-[(2S)-2-(2-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 985876
1-[(2S)-2-(2,4-dichlorophenyl)-5-(3-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 1203227
1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92712885
1-[(2S)-5-naphthalen-1-yl-2-[2-(naphthalen-1-ylmethoxy)phenyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 26984745
5-chloro-2-[(2,4-dichlorophenoxy)methyl]-4H-3,1-benzoxazine-4-carbaldehyde
CID 174691474
6-chloro-2-[(2,4-dichlorophenoxy)methyl]-4H-3,1-benzoxazine-4-carbaldehyde
CID 174691454
1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide
CID 17479123
N-[3-acetyl-2-[2-[[2,4,5-tris[[2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 139236040
4-[(2,4-dichlorophenoxy)methyl]-7-hydroxy-8-methylchromen-2-one
CID 18291345

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 92715520) is 1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@@H]1c1ccccc1Cl.
What is the InChIKey of 1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is BKJGRYNDKUOFLK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13Cl3N2O3/c1-10(23)22-17(12-4-2-3-5-13(12)19)25-16(21-22)9-24-15-7-6-11(18)8-14(15)20/h2-8,17H,9H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 399.66 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 92715520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).