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

C13H12N2O2 — CID 96587626

IUPAC3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CCc2ccccc2C1
InChIInChI=1S/C13H12N2O2/c16-13(12-7-14-9-17-12)15-6-5-10-3-1-2-4-11(10)8-15/h1-4,7,9H,5-6,8H2
InChIKeyUPWIKWYBNZDPEM-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.87
Rot. Bonds1

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

3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone (PubChem CID 96587626) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone
PubChem CID96587626
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CCc2ccccc2C1
InChIInChI=1S/C13H12N2O2/c16-13(12-7-14-9-17-12)15-6-5-10-3-1-2-4-11(10)8-15/h1-4,7,9H,5-6,8H2
InChIKeyUPWIKWYBNZDPEM-UHFFFAOYSA-N
XLogP1.87
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuran-2-yl)methanone
CID 110852371
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,2-oxazole-3-carboxylic acid
CID 117218050
3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone
CID 18108226
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
3,4-dihydro-1H-isoquinolin-2-yl(1,2-oxazol-5-yl)methanone;trifluoromethylbenzene
CID 143814596
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone
CID 109274481
3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
CID 110852369

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone (CID 96587626) is 3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone is O=C(c1cnco1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone?
The InChIKey is UPWIKWYBNZDPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(12-7-14-9-17-12)15-6-5-10-3-1-2-4-11(10)8-15/h1-4,7,9H,5-6,8H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone has a molecular weight of 228.25 g/mol, XLogP of 1.87, 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(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 96587626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).