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

C14H15N3O3 — CID 65353424

IUPAC5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1nc(C3COCCO3)no1)CCN2
InChIInChI=1S/C14H15N3O3/c1-2-11-9(3-4-15-11)7-10(1)14-16-13(17-20-14)12-8-18-5-6-19-12/h1-2,7,12,15H,3-6,8H2
InChIKeyYKXATTVFNGYHBF-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.79
Rot. Bonds2

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

5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole (PubChem CID 65353424) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole
PubChem CID65353424
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1nc(C3COCCO3)no1)CCN2
InChIInChI=1S/C14H15N3O3/c1-2-11-9(3-4-15-11)7-10(1)14-16-13(17-20-14)12-8-18-5-6-19-12/h1-2,7,12,15H,3-6,8H2
InChIKeyYKXATTVFNGYHBF-UHFFFAOYSA-N
XLogP1.79
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole (CID 65353424) is 5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole is c1cc2c(cc1-c1nc(C3COCCO3)no1)CCN2.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole?
The InChIKey is YKXATTVFNGYHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-11-9(3-4-15-11)7-10(1)14-16-13(17-20-14)12-8-18-5-6-19-12/h1-2,7,12,15H,3-6,8H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole has a molecular weight of 273.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-5-yl)-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65353424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).