7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one

C15H16N2O2 — CID 158568266

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one
SMILESCc1cc(-c2c(C)noc2C)cc2c1CC(=O)NC2
InChIInChI=1S/C15H16N2O2/c1-8-4-11(15-9(2)17-19-10(15)3)5-12-7-16-14(18)6-13(8)12/h4-5H,6-7H2,1-3H3,(H,16,18)
InChIKeyVOBNCTNKAIXYJX-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.44
Rot. Bonds1

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one (PubChem CID 158568266) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one
PubChem CID158568266
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one
SMILESCc1cc(-c2c(C)noc2C)cc2c1CC(=O)NC2
InChIInChI=1S/C15H16N2O2/c1-8-4-11(15-9(2)17-19-10(15)3)5-12-7-16-14(18)6-13(8)12/h4-5H,6-7H2,1-3H3,(H,16,18)
InChIKeyVOBNCTNKAIXYJX-UHFFFAOYSA-N
XLogP2.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one with MolForge

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Related Compounds

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one
CID 144546360
4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole
CID 158347173
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4,4,8-trimethyl-1H-3,1-benzoxazin-2-one
CID 11694890
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane
CID 144853226
3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one
CID 90364810
N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide
CID 143121623
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one
CID 148832001
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 170343835
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
4-(6-methoxy-5-methyl-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 147829437

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one (CID 158568266) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one is Cc1cc(-c2c(C)noc2C)cc2c1CC(=O)NC2.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one?
The InChIKey is VOBNCTNKAIXYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-8-4-11(15-9(2)17-19-10(15)3)5-12-7-16-14(18)6-13(8)12/h4-5H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one has a molecular weight of 256.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one is sourced from PubChem (CID 158568266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).