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

C14H13N3O — CID 162652608

IUPAC5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESc1cc2cc(-c3noc(C4CCC4)n3)ccc2[nH]1
InChIInChI=1S/C14H13N3O/c1-2-9(3-1)14-16-13(17-18-14)11-4-5-12-10(8-11)6-7-15-12/h4-9,15H,1-3H2
InChIKeyIAGSCIOSIGBXLI-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.49
Rot. Bonds2

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

5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole (PubChem CID 162652608) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole
PubChem CID162652608
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESc1cc2cc(-c3noc(C4CCC4)n3)ccc2[nH]1
InChIInChI=1S/C14H13N3O/c1-2-9(3-1)14-16-13(17-18-14)11-4-5-12-10(8-11)6-7-15-12/h4-9,15H,1-3H2
InChIKeyIAGSCIOSIGBXLI-UHFFFAOYSA-N
XLogP3.49
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole (CID 162652608) is 5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole is c1cc2cc(-c3noc(C4CCC4)n3)ccc2[nH]1.
What is the InChIKey of 5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole?
The InChIKey is IAGSCIOSIGBXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-9(3-1)14-16-13(17-18-14)11-4-5-12-10(8-11)6-7-15-12/h4-9,15H,1-3H2.
What are the key properties of 5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole?
5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole has a molecular weight of 239.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-(1H-indol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 162652608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).