2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole

C10H8Cl2N2O — CID 39347320

IUPAC2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
SMILESClCCc1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C10H8Cl2N2O/c11-5-4-9-13-14-10(15-9)7-2-1-3-8(12)6-7/h1-3,6H,4-5H2
InChIKeyOQJPMWZIEFMXCI-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.17
Rot. Bonds3

About 2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 39347320) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
PubChem CID39347320
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
SMILESClCCc1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C10H8Cl2N2O/c11-5-4-9-13-14-10(15-9)7-2-1-3-8(12)6-7/h1-3,6H,4-5H2
InChIKeyOQJPMWZIEFMXCI-UHFFFAOYSA-N
XLogP3.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-(2-chloroethyl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 43513245
[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylphosphonic acid
CID 155254162
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55039506
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine
CID 84700432
2,4-dichloro-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652386
2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656035
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 22060846
3-bromo-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652371
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,3,4-trifluoroaniline
CID 110652399

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole (CID 39347320) is 2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole is ClCCc1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is OQJPMWZIEFMXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c11-5-4-9-13-14-10(15-9)7-2-1-3-8(12)6-7/h1-3,6H,4-5H2.
What are the key properties of 2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole has a molecular weight of 243.09 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 39347320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).