3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole

C15H18N2O — CID 66876139

IUPAC3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1cccc2c1CCNC2C
InChIInChI=1S/C15H18N2O/c1-9-12-5-4-6-14(13(12)7-8-16-9)15-10(2)17-18-11(15)3/h4-6,9,16H,7-8H2,1-3H3
InChIKeyUIOVELLNNBCIAS-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.17
Rot. Bonds1

About 3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole

3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole (PubChem CID 66876139) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole
PubChem CID66876139
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1cccc2c1CCNC2C
InChIInChI=1S/C15H18N2O/c1-9-12-5-4-6-14(13(12)7-8-16-9)15-10(2)17-18-11(15)3/h4-6,9,16H,7-8H2,1-3H3
InChIKeyUIOVELLNNBCIAS-UHFFFAOYSA-N
XLogP3.17
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole (CID 66876139) is 3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole is Cc1noc(C)c1-c1cccc2c1CCNC2C.
What is the InChIKey of 3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole?
The InChIKey is UIOVELLNNBCIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-12-5-4-6-14(13(12)7-8-16-9)15-10(2)17-18-11(15)3/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole?
3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole has a molecular weight of 242.32 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole is sourced from PubChem (CID 66876139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).