ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate

C17H12Cl2N2O3 — CID 1259542

IUPACethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C17H12Cl2N2O3/c1-2-23-17(22)11-5-3-10(4-6-11)15-20-21-16(24-15)13-8-7-12(18)9-14(13)19/h3-9H,2H2,1H3
InChIKeyUFJBHDQRSCWNNT-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.89
Rot. Bonds4

About ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate

ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate (PubChem CID 1259542) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate
PubChem CID1259542
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Nameethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C17H12Cl2N2O3/c1-2-23-17(22)11-5-3-10(4-6-11)15-20-21-16(24-15)13-8-7-12(18)9-14(13)19/h3-9H,2H2,1H3
InChIKeyUFJBHDQRSCWNNT-UHFFFAOYSA-N
XLogP4.89
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Chlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 853632
2-(3-Chlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 259755
2-(2-Chlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 884660
4-((5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl)thio)butanoic acid
CID 118355103
3-[[5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 4859665
2-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 676108
4-({[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]thio}methyl)benzoic acid
CID 967608
1-(4-Chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 2442909
2-(4-Chlorobenzyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 16193707
2-(2,4-Dichlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 96854
2-[[5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester
CID 655522
2-(2,4-Dichlorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole
CID 742487

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The IUPAC name of ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate (CID 1259542) is ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate.
What is the SMILES notation for ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The canonical SMILES for ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate is CCOC(=O)c1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The InChIKey is UFJBHDQRSCWNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-2-23-17(22)11-5-3-10(4-6-11)15-20-21-16(24-15)13-8-7-12(18)9-14(13)19/h3-9H,2H2,1H3.
What are the key properties of ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate?
ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate has a molecular weight of 363.20 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate is sourced from PubChem (CID 1259542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).