(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone

C21H20N2O3 — CID 110313518

IUPAC(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc2c(c1)C(C)N(C(=O)c1cc(-c3ccccc3)on1)CC2
InChIInChI=1S/C21H20N2O3/c1-14-18-12-17(25-2)9-8-15(18)10-11-23(14)21(24)19-13-20(26-22-19)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3
InChIKeyLIPYMTWQOFDRNL-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.11
Rot. Bonds3

About (7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone

(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 110313518) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID110313518
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc2c(c1)C(C)N(C(=O)c1cc(-c3ccccc3)on1)CC2
InChIInChI=1S/C21H20N2O3/c1-14-18-12-17(25-2)9-8-15(18)10-11-23(14)21(24)19-13-20(26-22-19)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3
InChIKeyLIPYMTWQOFDRNL-UHFFFAOYSA-N
XLogP4.11
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 110313518) is (7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone is COc1ccc2c(c1)C(C)N(C(=O)c1cc(-c3ccccc3)on1)CC2.
What is the InChIKey of (7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is LIPYMTWQOFDRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-18-12-17(25-2)9-8-15(18)10-11-23(14)21(24)19-13-20(26-22-19)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3.
What are the key properties of (7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?
(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 348.40 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 110313518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).