5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

C14H14F3N3O — CID 80575398

IUPAC5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(CC2CNc3ccccc32)n1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)6-5-12-19-13(21-20-12)7-9-8-18-11-4-2-1-3-10(9)11/h1-4,9,18H,5-8H2
InChIKeyJRNBOPGJQWMAAG-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.32
Rot. Bonds4

About 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (PubChem CID 80575398) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
PubChem CID80575398
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(CC2CNc3ccccc32)n1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)6-5-12-19-13(21-20-12)7-9-8-18-11-4-2-1-3-10(9)11/h1-4,9,18H,5-8H2
InChIKeyJRNBOPGJQWMAAG-UHFFFAOYSA-N
XLogP3.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (CID 80575398) is 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is FC(F)(F)CCc1noc(CC2CNc3ccccc32)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The InChIKey is JRNBOPGJQWMAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)6-5-12-19-13(21-20-12)7-9-8-18-11-4-2-1-3-10(9)11/h1-4,9,18H,5-8H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole has a molecular weight of 297.28 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 80575398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).