3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole

C14H16N2O2 — CID 158893132

IUPAC3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole
SMILESCc1nocc1COc1ccc2c(c1)CCNC2
InChIInChI=1S/C14H16N2O2/c1-10-13(9-18-16-10)8-17-14-3-2-12-7-15-5-4-11(12)6-14/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyGTRFJAPGLZJFGI-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.21
Rot. Bonds3

About 3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole

3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole (PubChem CID 158893132) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole
PubChem CID158893132
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole
SMILESCc1nocc1COc1ccc2c(c1)CCNC2
InChIInChI=1S/C14H16N2O2/c1-10-13(9-18-16-10)8-17-14-3-2-12-7-15-5-4-11(12)6-14/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyGTRFJAPGLZJFGI-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole?
The IUPAC name of 3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole (CID 158893132) is 3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole is Cc1nocc1COc1ccc2c(c1)CCNC2.
What is the InChIKey of 3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole?
The InChIKey is GTRFJAPGLZJFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-13(9-18-16-10)8-17-14-3-2-12-7-15-5-4-11(12)6-14/h2-3,6,9,15H,4-5,7-8H2,1H3.
What are the key properties of 3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole?
3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole has a molecular weight of 244.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 158893132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).