1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one

C15H19NO2 — CID 589401

IUPAC1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
SMILESCCC1(C)OC(=O)N2CCc3ccccc3C21C
InChIInChI=1S/C15H19NO2/c1-4-14(2)15(3)12-8-6-5-7-11(12)9-10-16(15)13(17)18-14/h5-8H,4,9-10H2,1-3H3
InChIKeyOGJNMISUIGRWIJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.08
Rot. Bonds1

About 1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one

1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one (PubChem CID 589401) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one.

Molecular Properties

Compound Name1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
PubChem CID589401
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
SMILESCCC1(C)OC(=O)N2CCc3ccccc3C21C
InChIInChI=1S/C15H19NO2/c1-4-14(2)15(3)12-8-6-5-7-11(12)9-10-16(15)13(17)18-14/h5-8H,4,9-10H2,1-3H3
InChIKeyOGJNMISUIGRWIJ-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
The IUPAC name of 1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one (CID 589401) is 1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one.
What is the SMILES notation for 1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
The canonical SMILES for 1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one is CCC1(C)OC(=O)N2CCc3ccccc3C21C.
What is the InChIKey of 1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
The InChIKey is OGJNMISUIGRWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-14(2)15(3)12-8-6-5-7-11(12)9-10-16(15)13(17)18-14/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one has a molecular weight of 245.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one is sourced from PubChem (CID 589401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).