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

C13H15N3O2 — CID 54909082

IUPAC5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole
SMILESCc1nc(COc2cccc3c2NCCC3)no1
InChIInChI=1S/C13H15N3O2/c1-9-15-12(16-18-9)8-17-11-6-2-4-10-5-3-7-14-13(10)11/h2,4,6,14H,3,5,7-8H2,1H3
InChIKeyXYKFEFATFFWMPH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.32
Rot. Bonds3

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

5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 54909082) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole
PubChem CID54909082
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole
SMILESCc1nc(COc2cccc3c2NCCC3)no1
InChIInChI=1S/C13H15N3O2/c1-9-15-12(16-18-9)8-17-11-6-2-4-10-5-3-7-14-13(10)11/h2,4,6,14H,3,5,7-8H2,1H3
InChIKeyXYKFEFATFFWMPH-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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Related Compounds

3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole
CID 54909170
2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 54909125
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 62770238
8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61027694
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60746651
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554
8-[(6-ethoxy-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 63589905
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63089486
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole
CID 78953139
methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate
CID 61027038

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole (CID 54909082) is 5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole is Cc1nc(COc2cccc3c2NCCC3)no1.
What is the InChIKey of 5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is XYKFEFATFFWMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-15-12(16-18-9)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 5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole?
5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-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 5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 54909082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).