5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one

C21H24N2O3 — CID 46225924

IUPAC5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one
SMILESCCCN1CCc2cc3oc(=O)n(C)c3cc2C1c1cccc(OC)c1
InChIInChI=1S/C21H24N2O3/c1-4-9-23-10-8-14-12-19-18(22(2)21(24)26-19)13-17(14)20(23)15-6-5-7-16(11-15)25-3/h5-7,11-13,20H,4,8-10H2,1-3H3
InChIKeyOZRUDBBLRGELJB-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.50
Rot. Bonds4

About 5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one

5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one (PubChem CID 46225924) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one
PubChem CID46225924
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one
SMILESCCCN1CCc2cc3oc(=O)n(C)c3cc2C1c1cccc(OC)c1
InChIInChI=1S/C21H24N2O3/c1-4-9-23-10-8-14-12-19-18(22(2)21(24)26-19)13-17(14)20(23)15-6-5-7-16(11-15)25-3/h5-7,11-13,20H,4,8-10H2,1-3H3
InChIKeyOZRUDBBLRGELJB-UHFFFAOYSA-N
XLogP3.50
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one with MolForge

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Related Compounds

3-[2-(4-Phenylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 59630039
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one
CID 10408385
2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70689088
N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70695396
2-[5-(4-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70695397
5-Methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 851217
5-Methyl-3-(3-m-tolyloxy-propyl)-3H-benzooxazol-2-one
CID 2130278
5-methyl-3-(4-propoxybenzyl)benzo[d]oxazol-2(3H)-one
CID 2141780
N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
CID 4142440
6-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-3H-benzooxazol-2-one
CID 9820887
6-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amino]-ethyl}-3H-benzooxazol-2-one
CID 10808906
5-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amino]-ethyl}-3H-benzooxazol-2-one
CID 10808907

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one?
The IUPAC name of 5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one (CID 46225924) is 5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one?
The canonical SMILES for 5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one is CCCN1CCc2cc3oc(=O)n(C)c3cc2C1c1cccc(OC)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one?
The InChIKey is OZRUDBBLRGELJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-9-23-10-8-14-12-19-18(22(2)21(24)26-19)13-17(14)20(23)15-6-5-7-16(11-15)25-3/h5-7,11-13,20H,4,8-10H2,1-3H3.
What are the key properties of 5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one?
5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one has a molecular weight of 352.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-methyl-6-propyl-7,8-dihydro-5H-[1,3]oxazolo[5,4-g]isoquinolin-2-one is sourced from PubChem (CID 46225924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).