3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole

C14H17N3O2 — CID 61412494

IUPAC3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cccc3c2CCCN3)n1
InChIInChI=1S/C14H17N3O2/c1-18-9-7-13-16-14(19-17-13)11-4-2-6-12-10(11)5-3-8-15-12/h2,4,6,15H,3,5,7-9H2,1H3
InChIKeyYCQAPMLZCYLWJL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.28
Rot. Bonds4

About 3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole (PubChem CID 61412494) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole
PubChem CID61412494
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cccc3c2CCCN3)n1
InChIInChI=1S/C14H17N3O2/c1-18-9-7-13-16-14(19-17-13)11-4-2-6-12-10(11)5-3-8-15-12/h2,4,6,15H,3,5,7-9H2,1H3
InChIKeyYCQAPMLZCYLWJL-UHFFFAOYSA-N
XLogP2.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole (CID 61412494) is 3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole is COCCc1noc(-c2cccc3c2CCCN3)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole?
The InChIKey is YCQAPMLZCYLWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-9-7-13-16-14(19-17-13)11-4-2-6-12-10(11)5-3-8-15-12/h2,4,6,15H,3,5,7-9H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 61412494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).