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

C14H16N2O2 — CID 54909170

IUPAC3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole
SMILESCc1cc(COc2cccc3c2NCCC3)on1
InChIInChI=1S/C14H16N2O2/c1-10-8-12(18-16-10)9-17-13-6-2-4-11-5-3-7-15-14(11)13/h2,4,6,8,15H,3,5,7,9H2,1H3
InChIKeyJQBRDSCPZRRLCK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.92
Rot. Bonds3

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

3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole (PubChem CID 54909170) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole
PubChem CID54909170
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole
SMILESCc1cc(COc2cccc3c2NCCC3)on1
InChIInChI=1S/C14H16N2O2/c1-10-8-12(18-16-10)9-17-13-6-2-4-11-5-3-7-15-14(11)13/h2,4,6,8,15H,3,5,7,9H2,1H3
InChIKeyJQBRDSCPZRRLCK-UHFFFAOYSA-N
XLogP2.92
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 54909125
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate
CID 61027038
8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 54909301
8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61027694
8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 54909171
8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61026787
8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115984072
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 63423959
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole (CID 54909170) is 3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole is Cc1cc(COc2cccc3c2NCCC3)on1.
What is the InChIKey of 3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole?
The InChIKey is JQBRDSCPZRRLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-8-12(18-16-10)9-17-13-6-2-4-11-5-3-7-15-14(11)13/h2,4,6,8,15H,3,5,7,9H2,1H3.
What are the key properties of 3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole?
3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole has a molecular weight of 244.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 54909170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).