3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole

C15H18N2O — CID 118796715

IUPAC3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole
SMILESCc1noc(C)c1C1CN(C)Cc2ccccc21
InChIInChI=1S/C15H18N2O/c1-10-15(11(2)18-16-10)14-9-17(3)8-12-6-4-5-7-13(12)14/h4-7,14H,8-9H2,1-3H3
InChIKeyIEHDEVXKWOALDJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.87
Rot. Bonds1

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

3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole (PubChem CID 118796715) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole
PubChem CID118796715
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole
SMILESCc1noc(C)c1C1CN(C)Cc2ccccc21
InChIInChI=1S/C15H18N2O/c1-10-15(11(2)18-16-10)14-9-17(3)8-12-6-4-5-7-13(12)14/h4-7,14H,8-9H2,1-3H3
InChIKeyIEHDEVXKWOALDJ-UHFFFAOYSA-N
XLogP2.87
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propyl-5-(3-p-tolylisoxazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 9817231
3-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepine
CID 135367400
3-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepine
CID 135367857
3-phenyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepine
CID 135367959
2-(4,5,6,7-Tetrahydro-1,2-benzisoxazol-3-ylcarbonyl)-1,2,3,4-tetrahydroisoquinoline
CID 5079298
2-[(3,5-Dimethyl-4-isoxazolyl)carbonyl]-1,2,3,4-tetrahydroisoquinoline
CID 1245183
4-Methyl-1-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]piperidine
CID 708004
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 1093796
(2-Ethyl-piperidin-1-yl)-(5-methyl-3-phenyl-isoxazol-4-yl)-methanone
CID 2867736
4,4,4-Trifluoro-1-[4-(3-phenylisoxazol-5-yl)-1-piperidyl]butan-1-one
CID 56946372
1-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-4-Piperidinecarboxamide
CID 17311929
5-[(Z)-1-azabicyclo[2.2.2]octan-3-ylidenemethyl]-3-phenyl-1,2-oxazole
CID 44327318

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole (CID 118796715) is 3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole is Cc1noc(C)c1C1CN(C)Cc2ccccc21.
What is the InChIKey of 3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole?
The InChIKey is IEHDEVXKWOALDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-15(11(2)18-16-10)14-9-17(3)8-12-6-4-5-7-13(12)14/h4-7,14H,8-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole?
3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole has a molecular weight of 242.32 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,2-oxazole is sourced from PubChem (CID 118796715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).