5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole

C19H19N3O3 — CID 17446352

IUPAC5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(OCc2noc(CN3CCc4ccccc43)n2)cc1
InChIInChI=1S/C19H19N3O3/c1-23-15-6-8-16(9-7-15)24-13-18-20-19(25-21-18)12-22-11-10-14-4-2-3-5-17(14)22/h2-9H,10-13H2,1H3
InChIKeyRWQQMBUEYYPZTN-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.22
Rot. Bonds6

About 5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole

5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 17446352) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID17446352
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(OCc2noc(CN3CCc4ccccc43)n2)cc1
InChIInChI=1S/C19H19N3O3/c1-23-15-6-8-16(9-7-15)24-13-18-20-19(25-21-18)12-22-11-10-14-4-2-3-5-17(14)22/h2-9H,10-13H2,1H3
InChIKeyRWQQMBUEYYPZTN-UHFFFAOYSA-N
XLogP3.22
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole (CID 17446352) is 5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole is COc1ccc(OCc2noc(CN3CCc4ccccc43)n2)cc1.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is RWQQMBUEYYPZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-23-15-6-8-16(9-7-15)24-13-18-20-19(25-21-18)12-22-11-10-14-4-2-3-5-17(14)22/h2-9H,10-13H2,1H3.
What are the key properties of 5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 337.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 17446352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).