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

C14H15N3O2 — CID 65330487

IUPAC5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1nc(C3CCOC3)no1)CCN2
InChIInChI=1S/C14H15N3O2/c1-2-12-9(3-5-15-12)7-10(1)14-16-13(17-19-14)11-4-6-18-8-11/h1-2,7,11,15H,3-6,8H2
InChIKeyIUTQZNUMEZQTPU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.21
Rot. Bonds2

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

5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 65330487) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID65330487
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1nc(C3CCOC3)no1)CCN2
InChIInChI=1S/C14H15N3O2/c1-2-12-9(3-5-15-12)7-10(1)14-16-13(17-19-14)11-4-6-18-8-11/h1-2,7,11,15H,3-6,8H2
InChIKeyIUTQZNUMEZQTPU-UHFFFAOYSA-N
XLogP2.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 65330487) is 5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is c1cc2c(cc1-c1nc(C3CCOC3)no1)CCN2.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is IUTQZNUMEZQTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-12-9(3-5-15-12)7-10(1)14-16-13(17-19-14)11-4-6-18-8-11/h1-2,7,11,15H,3-6,8H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 257.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65330487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).