6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole

C17H16N2O2 — CID 102696445

IUPAC6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole
SMILESCOc1ccc2nc(C3CNCc4ccccc43)oc2c1
InChIInChI=1S/C17H16N2O2/c1-20-12-6-7-15-16(8-12)21-17(19-15)14-10-18-9-11-4-2-3-5-13(11)14/h2-8,14,18H,9-10H2,1H3
InChIKeyMUJPCTMUALNBBI-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.07
Rot. Bonds2

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

6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole (PubChem CID 102696445) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole
PubChem CID102696445
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole
SMILESCOc1ccc2nc(C3CNCc4ccccc43)oc2c1
InChIInChI=1S/C17H16N2O2/c1-20-12-6-7-15-16(8-12)21-17(19-15)14-10-18-9-11-4-2-3-5-13(11)14/h2-8,14,18H,9-10H2,1H3
InChIKeyMUJPCTMUALNBBI-UHFFFAOYSA-N
XLogP3.07
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole?
The IUPAC name of 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole (CID 102696445) is 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole?
The canonical SMILES for 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole is COc1ccc2nc(C3CNCc4ccccc43)oc2c1.
What is the InChIKey of 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole?
The InChIKey is MUJPCTMUALNBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-12-6-7-15-16(8-12)21-17(19-15)14-10-18-9-11-4-2-3-5-13(11)14/h2-8,14,18H,9-10H2,1H3.
What are the key properties of 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole?
6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole has a molecular weight of 280.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 102696445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).