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

C7H11ClN2O — CID 43513170

IUPAC2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(CCCl)o1
InChIInChI=1S/C7H11ClN2O/c1-2-3-6-9-10-7(11-6)4-5-8/h2-5H2,1H3
InChIKeyVGEZTLQJKYEIHT-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.80
Rot. Bonds4

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

2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole (PubChem CID 43513170) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole
PubChem CID43513170
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(CCCl)o1
InChIInChI=1S/C7H11ClN2O/c1-2-3-6-9-10-7(11-6)4-5-8/h2-5H2,1H3
InChIKeyVGEZTLQJKYEIHT-UHFFFAOYSA-N
XLogP1.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.80
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-nonyl-1,3,4-oxadiazole
CID 65448728
2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole
CID 62588931
5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine
CID 106956296
2-(2-chloroethyl)-5-heptan-3-yl-1,3,4-oxadiazole
CID 43513193
2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513036
5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958155
2-benzyl-5-propyl-1,3,4-oxadiazole
CID 14949002
2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 54852620
2-(2-chloroethyl)-5-[2-(3-methylphenyl)ethyl]-1,3,4-oxadiazole
CID 62365336
2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 43513173
5-(2-chloroethyl)-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106958290
2-(2-chloroethyl)-5-(1-methylsulfonylethyl)-1,3,4-oxadiazole
CID 104517851

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole (CID 43513170) is 2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole is CCCc1nnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole?
The InChIKey is VGEZTLQJKYEIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-2-3-6-9-10-7(11-6)4-5-8/h2-5H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole has a molecular weight of 174.63 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 43513170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).