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

C10H9ClN2O — CID 39242176

IUPAC2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
SMILESClCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C10H9ClN2O/c11-7-6-9-12-13-10(14-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyZMYPIWFZVPAPMI-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.52
Rot. Bonds3

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

2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 39242176) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID39242176
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
SMILESClCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C10H9ClN2O/c11-7-6-9-12-13-10(14-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyZMYPIWFZVPAPMI-UHFFFAOYSA-N
XLogP2.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.52
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-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 39347320
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39364415
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-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 43513245
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
CID 104669988
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole (CID 39242176) is 2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole is ClCCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ZMYPIWFZVPAPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-7-6-9-12-13-10(14-9)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 208.65 g/mol, XLogP of 2.52, 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-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 39242176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).