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

C16H19N3O2 — CID 80575396

IUPAC5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)NCC2Cc1nc(C2CCCOC2)no1
InChIInChI=1S/C16H19N3O2/c1-2-6-14-13(5-1)12(9-17-14)8-15-18-16(19-21-15)11-4-3-7-20-10-11/h1-2,5-6,11-12,17H,3-4,7-10H2
InChIKeyDCSFAAKIIFPZSS-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.72
Rot. Bonds3

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

5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole (PubChem CID 80575396) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole
PubChem CID80575396
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)NCC2Cc1nc(C2CCCOC2)no1
InChIInChI=1S/C16H19N3O2/c1-2-6-14-13(5-1)12(9-17-14)8-15-18-16(19-21-15)11-4-3-7-20-10-11/h1-2,5-6,11-12,17H,3-4,7-10H2
InChIKeyDCSFAAKIIFPZSS-UHFFFAOYSA-N
XLogP2.72
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.72
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-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole (CID 80575396) is 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole is c1ccc2c(c1)NCC2Cc1nc(C2CCCOC2)no1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole?
The InChIKey is DCSFAAKIIFPZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-6-14-13(5-1)12(9-17-14)8-15-18-16(19-21-15)11-4-3-7-20-10-11/h1-2,5-6,11-12,17H,3-4,7-10H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole has a molecular weight of 285.35 g/mol, XLogP of 2.72, 3 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-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 80575396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).