2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole

C11H8ClN3O — CID 137153670

IUPAC2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2cc3ccccc3[nH]2)o1
InChIInChI=1S/C11H8ClN3O/c12-6-10-14-15-11(16-10)9-5-7-3-1-2-4-8(7)13-9/h1-5,13H,6H2
InChIKeyRGBJSMXYAWKTCC-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.96
Rot. Bonds2

About 2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole

2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole (PubChem CID 137153670) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
PubChem CID137153670
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2cc3ccccc3[nH]2)o1
InChIInChI=1S/C11H8ClN3O/c12-6-10-14-15-11(16-10)9-5-7-3-1-2-4-8(7)13-9/h1-5,13H,6H2
InChIKeyRGBJSMXYAWKTCC-UHFFFAOYSA-N
XLogP2.96
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole (CID 137153670) is 2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole is ClCc1nnc(-c2cc3ccccc3[nH]2)o1.
What is the InChIKey of 2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole?
The InChIKey is RGBJSMXYAWKTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-6-10-14-15-11(16-10)9-5-7-3-1-2-4-8(7)13-9/h1-5,13H,6H2.
What are the key properties of 2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole has a molecular weight of 233.66 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 137153670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).