3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole

C14H14N2O3 — CID 140563549

IUPAC3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole
SMILESCOc1ccc2c(c1)C=C(c1cc(OC)no1)NC2
InChIInChI=1S/C14H14N2O3/c1-17-11-4-3-9-8-15-12(6-10(9)5-11)13-7-14(18-2)16-19-13/h3-7,15H,8H2,1-2H3
InChIKeyVCHZALHDUWUFEQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.29
Rot. Bonds3

About 3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole

3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole (PubChem CID 140563549) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole
PubChem CID140563549
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole
SMILESCOc1ccc2c(c1)C=C(c1cc(OC)no1)NC2
InChIInChI=1S/C14H14N2O3/c1-17-11-4-3-9-8-15-12(6-10(9)5-11)13-7-14(18-2)16-19-13/h3-7,15H,8H2,1-2H3
InChIKeyVCHZALHDUWUFEQ-UHFFFAOYSA-N
XLogP2.29
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole?
The IUPAC name of 3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole (CID 140563549) is 3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole.
What is the SMILES notation for 3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole?
The canonical SMILES for 3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole is COc1ccc2c(c1)C=C(c1cc(OC)no1)NC2.
What is the InChIKey of 3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole?
The InChIKey is VCHZALHDUWUFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-17-11-4-3-9-8-15-12(6-10(9)5-11)13-7-14(18-2)16-19-13/h3-7,15H,8H2,1-2H3.
What are the key properties of 3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole?
3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole has a molecular weight of 258.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(6-methoxy-1,2-dihydroisoquinolin-3-yl)-1,2-oxazole is sourced from PubChem (CID 140563549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).