2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole

C13H15N3O2 — CID 54909125

IUPAC2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole
SMILESCc1nnc(COc2cccc3c2NCCC3)o1
InChIInChI=1S/C13H15N3O2/c1-9-15-16-12(18-9)8-17-11-6-2-4-10-5-3-7-14-13(10)11/h2,4,6,14H,3,5,7-8H2,1H3
InChIKeyJGPDVHSAOFFGEN-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.32
Rot. Bonds3

About 2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole

2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole (PubChem CID 54909125) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole
PubChem CID54909125
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole
SMILESCc1nnc(COc2cccc3c2NCCC3)o1
InChIInChI=1S/C13H15N3O2/c1-9-15-16-12(18-9)8-17-11-6-2-4-10-5-3-7-14-13(10)11/h2,4,6,14H,3,5,7-8H2,1H3
InChIKeyJGPDVHSAOFFGEN-UHFFFAOYSA-N
XLogP2.32
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole (CID 54909125) is 2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole is Cc1nnc(COc2cccc3c2NCCC3)o1.
What is the InChIKey of 2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole?
The InChIKey is JGPDVHSAOFFGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-15-16-12(18-9)8-17-11-6-2-4-10-5-3-7-14-13(10)11/h2,4,6,14H,3,5,7-8H2,1H3.
What are the key properties of 2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole?
2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole has a molecular weight of 245.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 54909125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).