3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C15H16N2O2 — CID 1245183

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H16N2O2/c1-10-14(11(2)19-16-10)15(18)17-8-7-12-5-3-4-6-13(12)9-17/h3-6H,7-9H2,1-2H3
InChIKeyHJXWNGSDSBZPQK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.49
Rot. Bonds1

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

3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 1245183) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID1245183
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H16N2O2/c1-10-14(11(2)19-16-10)15(18)17-8-7-12-5-3-4-6-13(12)9-17/h3-6H,7-9H2,1-2H3
InChIKeyHJXWNGSDSBZPQK-UHFFFAOYSA-N
XLogP2.49
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 1245183) is 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is HJXWNGSDSBZPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-14(11(2)19-16-10)15(18)17-8-7-12-5-3-4-6-13(12)9-17/h3-6H,7-9H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 1245183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).