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

C19H16N2O2 — CID 973876

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCc2ccccc2C1
InChIInChI=1S/C19H16N2O2/c22-19(21-11-10-14-6-4-5-9-16(14)13-21)17-12-18(23-20-17)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2
InChIKeyRAUQCTJWQYYYPB-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.54
Rot. Bonds2

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

3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 973876) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID973876
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCc2ccccc2C1
InChIInChI=1S/C19H16N2O2/c22-19(21-11-10-14-6-4-5-9-16(14)13-21)17-12-18(23-20-17)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2
InChIKeyRAUQCTJWQYYYPB-UHFFFAOYSA-N
XLogP3.54
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
8-{[5-(4-Methylphenyl)-3-isoxazolyl]carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 1249903
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
5-(4-Chlorophenyl)isoxazol-3-yl 4-phenylpiperazinyl ketone
CID 17252726
N-(3-(2-hydroxynicotinamido)propyl)-5-phenylisoxazole-3-carboxamide
CID 60167648
5-benzyl-N-[(3S)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 127033642

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 973876) is 3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2ccccc2)on1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is RAUQCTJWQYYYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-19(21-11-10-14-6-4-5-9-16(14)13-21)17-12-18(23-20-17)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 3.54, 2 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-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 973876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).