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

C10H8ClFN2O — CID 39246914

IUPAC2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CCCl)o2)cc1
InChIInChI=1S/C10H8ClFN2O/c11-6-5-9-13-14-10(15-9)7-1-3-8(12)4-2-7/h1-4H,5-6H2
InChIKeyUBRPRHBGGQPDIB-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.66
Rot. Bonds3

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

2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 39246914) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID39246914
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CCCl)o2)cc1
InChIInChI=1S/C10H8ClFN2O/c11-6-5-9-13-14-10(15-9)7-1-3-8(12)4-2-7/h1-4H,5-6H2
InChIKeyUBRPRHBGGQPDIB-UHFFFAOYSA-N
XLogP2.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.66
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-phenyl-1,3,4-oxadiazole
CID 39242176
2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39364415
4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 39355727
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044396
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
2-(2-chloroethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole
CID 65101577
2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 43513255
2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole
CID 135969130
2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
CID 104669988
2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 39347320

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 39246914) is 2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(CCCl)o2)cc1.
What is the InChIKey of 2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is UBRPRHBGGQPDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/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-fluorophenyl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 226.64 g/mol, XLogP of 2.66, 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-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 39246914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).