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

C16H13N3O — CID 43325507

IUPAC5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccc4c(c3)CCN4)n2)cc1
InChIInChI=1S/C16H13N3O/c1-2-4-11(5-3-1)15-18-16(20-19-15)13-6-7-14-12(10-13)8-9-17-14/h1-7,10,17H,8-9H2
InChIKeyOTVZAMJQWFBWLA-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.37
Rot. Bonds2

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

5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 43325507) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
PubChem CID43325507
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccc4c(c3)CCN4)n2)cc1
InChIInChI=1S/C16H13N3O/c1-2-4-11(5-3-1)15-18-16(20-19-15)13-6-7-14-12(10-13)8-9-17-14/h1-7,10,17H,8-9H2
InChIKeyOTVZAMJQWFBWLA-UHFFFAOYSA-N
XLogP3.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.37
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-5-yl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole (CID 43325507) is 5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(-c3ccc4c(c3)CCN4)n2)cc1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is OTVZAMJQWFBWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-2-4-11(5-3-1)15-18-16(20-19-15)13-6-7-14-12(10-13)8-9-17-14/h1-7,10,17H,8-9H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 263.30 g/mol, XLogP of 3.37, 2 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-5-yl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 43325507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).