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

C17H16N2O2 — CID 114765025

IUPAC4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole
SMILESCOc1cccc2oc(C3NCCc4ccccc43)nc12
InChIInChI=1S/C17H16N2O2/c1-20-13-7-4-8-14-16(13)19-17(21-14)15-12-6-3-2-5-11(12)9-10-18-15/h2-8,15,18H,9-10H2,1H3
InChIKeyBXMFDAMRGJNOAR-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.07
Rot. Bonds2

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

4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole (PubChem CID 114765025) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole
PubChem CID114765025
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole
SMILESCOc1cccc2oc(C3NCCc4ccccc43)nc12
InChIInChI=1S/C17H16N2O2/c1-20-13-7-4-8-14-16(13)19-17(21-14)15-12-6-3-2-5-11(12)9-10-18-15/h2-8,15,18H,9-10H2,1H3
InChIKeyBXMFDAMRGJNOAR-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 4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-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

Related Compounds

4-methoxy-2-morpholin-3-yl-1,3-benzoxazole
CID 114764868
2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole
CID 114764905
(1S)-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 42054648
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656
3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 114764930
methyl 4-methoxy-1,3-benzoxazole-2-carboxylate
CID 135000177
[2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 114764869
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 114765024
3-(2,2-dimethylcyclopropyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole
CID 107925045
1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106780917
4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole
CID 114764886
2-(4-methoxy-1,3-benzoxazol-2-yl)propanedioic acid
CID 138472648

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole?
The IUPAC name of 4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole (CID 114765025) is 4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole?
The canonical SMILES for 4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole is COc1cccc2oc(C3NCCc4ccccc43)nc12.
What is the InChIKey of 4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole?
The InChIKey is BXMFDAMRGJNOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-13-7-4-8-14-16(13)19-17(21-14)15-12-6-3-2-5-11(12)9-10-18-15/h2-8,15,18H,9-10H2,1H3.
What are the key properties of 4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole?
4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-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 4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 114765025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).