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

C17H14N2O2S — CID 3240870

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCc2ccccc2C1
InChIInChI=1S/C17H14N2O2S/c20-17(14-10-15(21-18-14)16-6-3-9-22-16)19-8-7-12-4-1-2-5-13(12)11-19/h1-6,9-10H,7-8,11H2
InChIKeyBSOCNPHSDVMLHR-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.60
Rot. Bonds2

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

3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 3240870) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID3240870
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCc2ccccc2C1
InChIInChI=1S/C17H14N2O2S/c20-17(14-10-15(21-18-14)16-6-3-9-22-16)19-8-7-12-4-1-2-5-13(12)11-19/h1-6,9-10H,7-8,11H2
InChIKeyBSOCNPHSDVMLHR-UHFFFAOYSA-N
XLogP3.60
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 3240870) is 3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccs2)on1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is BSOCNPHSDVMLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-17(14-10-15(21-18-14)16-6-3-9-22-16)19-8-7-12-4-1-2-5-13(12)11-19/h1-6,9-10H,7-8,11H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 310.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 3240870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).