5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole

C19H18N2O — CID 18536681

IUPAC5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole
SMILESc1ccc(-c2cc(CC3NCCc4ccccc43)no2)cc1
InChIInChI=1S/C19H18N2O/c1-2-7-15(8-3-1)19-13-16(21-22-19)12-18-17-9-5-4-6-14(17)10-11-20-18/h1-9,13,18,20H,10-12H2
InChIKeyHPNULAFWVSHAGO-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.77
Rot. Bonds3

About 5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole

5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole (PubChem CID 18536681) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole
PubChem CID18536681
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole
SMILESc1ccc(-c2cc(CC3NCCc4ccccc43)no2)cc1
InChIInChI=1S/C19H18N2O/c1-2-7-15(8-3-1)19-13-16(21-22-19)12-18-17-9-5-4-6-14(17)10-11-20-18/h1-9,13,18,20H,10-12H2
InChIKeyHPNULAFWVSHAGO-UHFFFAOYSA-N
XLogP3.77
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole 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 5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole (CID 18536681) is 5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole is c1ccc(-c2cc(CC3NCCc4ccccc43)no2)cc1.
What is the InChIKey of 5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole?
The InChIKey is HPNULAFWVSHAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-2-7-15(8-3-1)19-13-16(21-22-19)12-18-17-9-5-4-6-14(17)10-11-20-18/h1-9,13,18,20H,10-12H2.
What are the key properties of 5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole?
5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole has a molecular weight of 290.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 18536681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).