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

C10H8Cl2N2O — CID 39347323

IUPAC2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESClCCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C10H8Cl2N2O/c11-6-5-9-13-14-10(15-9)7-1-3-8(12)4-2-7/h1-4H,5-6H2
InChIKeyZSDRBHAWFYMVEC-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.17
Rot. Bonds3

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

2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 39347323) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
PubChem CID39347323
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESClCCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C10H8Cl2N2O/c11-6-5-9-13-14-10(15-9)7-1-3-8(12)4-2-7/h1-4H,5-6H2
InChIKeyZSDRBHAWFYMVEC-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-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39364415
2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 39347320
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 39355727
2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 43513255
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
2-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2080446
2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
CID 104669988
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole (CID 39347323) is 2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole is ClCCc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is ZSDRBHAWFYMVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c11-6-5-9-13-14-10(15-9)7-1-3-8(12)4-2-7/h1-4H,5-6H2.
What are the key properties of 2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(4-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-(4-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 39347323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).