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

C14H15N3O — CID 80565046

IUPAC3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)NCC2c1nc(C2CCC2)no1
InChIInChI=1S/C14H15N3O/c1-2-7-12-10(6-1)11(8-15-12)14-16-13(17-18-14)9-4-3-5-9/h1-2,6-7,9,11,15H,3-5,8H2
InChIKeyHCVFQVPDJBOWHX-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.89
Rot. Bonds2

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

3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole (PubChem CID 80565046) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole
PubChem CID80565046
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)NCC2c1nc(C2CCC2)no1
InChIInChI=1S/C14H15N3O/c1-2-7-12-10(6-1)11(8-15-12)14-16-13(17-18-14)9-4-3-5-9/h1-2,6-7,9,11,15H,3-5,8H2
InChIKeyHCVFQVPDJBOWHX-UHFFFAOYSA-N
XLogP2.89
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole (CID 80565046) is 3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole is c1ccc2c(c1)NCC2c1nc(C2CCC2)no1.
What is the InChIKey of 3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole?
The InChIKey is HCVFQVPDJBOWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-7-12-10(6-1)11(8-15-12)14-16-13(17-18-14)9-4-3-5-9/h1-2,6-7,9,11,15H,3-5,8H2.
What are the key properties of 3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole?
3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole has a molecular weight of 241.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 80565046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).