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

C19H18Cl2N2O3 — CID 92712885

IUPAC1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCCc1ccc(C2=NN(C(C)=O)[C@@H](COc3ccc(Cl)cc3Cl)O2)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-3-13-4-6-14(7-5-13)19-22-23(12(2)24)18(26-19)11-25-17-9-8-15(20)10-16(17)21/h4-10,18H,3,11H2,1-2H3/t18-/m1/s1
InChIKeyPPLMEYXRMAXWIJ-GOSISDBHSA-N
MW393.27 g/mol
LogP4.50
Rot. Bonds5

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

1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 92712885) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID92712885
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCCc1ccc(C2=NN(C(C)=O)[C@@H](COc3ccc(Cl)cc3Cl)O2)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-3-13-4-6-14(7-5-13)19-22-23(12(2)24)18(26-19)11-25-17-9-8-15(20)10-16(17)21/h4-10,18H,3,11H2,1-2H3/t18-/m1/s1
InChIKeyPPLMEYXRMAXWIJ-GOSISDBHSA-N
XLogP4.50
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[5-(4-bromophenyl)-2-[(4-methoxyphenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22577233
1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92715520
1-[(2S)-2-[(4-tert-butylphenoxy)methyl]-5-(2-chloro-6-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92713093
10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one
CID 22577234
2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973670
1-[2-(4-chlorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 23661086
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
1-[(2S)-2-(2,4-dichlorophenyl)-5-(3-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 1203227
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7865624
2-[[5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
CID 126024127
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 92712885) is 1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CCc1ccc(C2=NN(C(C)=O)[C@@H](COc3ccc(Cl)cc3Cl)O2)cc1.
What is the InChIKey of 1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is PPLMEYXRMAXWIJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-3-13-4-6-14(7-5-13)19-22-23(12(2)24)18(26-19)11-25-17-9-8-15(20)10-16(17)21/h4-10,18H,3,11H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 393.27 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2,4-dichlorophenoxy)methyl]-5-(4-ethylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 92712885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).