4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole

C12H12N2O — CID 166525760

IUPAC4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole
SMILESc1cc2c(cc1-c1cnoc1)CCNC2
InChIInChI=1S/C12H12N2O/c1-2-11-6-13-4-3-10(11)5-9(1)12-7-14-15-8-12/h1-2,5,7-8,13H,3-4,6H2
InChIKeyMZTWWAAEGDEAFH-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.99
Rot. Bonds1

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

4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole (PubChem CID 166525760) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole
PubChem CID166525760
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole
SMILESc1cc2c(cc1-c1cnoc1)CCNC2
InChIInChI=1S/C12H12N2O/c1-2-11-6-13-4-3-10(11)5-9(1)12-7-14-15-8-12/h1-2,5,7-8,13H,3-4,6H2
InChIKeyMZTWWAAEGDEAFH-UHFFFAOYSA-N
XLogP1.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole?
The IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole (CID 166525760) is 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole?
The canonical SMILES for 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole is c1cc2c(cc1-c1cnoc1)CCNC2.
What is the InChIKey of 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole?
The InChIKey is MZTWWAAEGDEAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-11-6-13-4-3-10(11)5-9(1)12-7-14-15-8-12/h1-2,5,7-8,13H,3-4,6H2.
What are the key properties of 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole?
4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole has a molecular weight of 200.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole is sourced from PubChem (CID 166525760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).