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

C17H14N2O3 — CID 3237160

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCc2ccccc2C1
InChIInChI=1S/C17H14N2O3/c20-17(14-10-16(22-18-14)15-6-3-9-21-15)19-8-7-12-4-1-2-5-13(12)11-19/h1-6,9-10H,7-8,11H2
InChIKeyKRHLNBMPDUWYEO-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.13
Rot. Bonds2

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

3,4-dihydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 3237160) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
PubChem CID3237160
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCc2ccccc2C1
InChIInChI=1S/C17H14N2O3/c20-17(14-10-16(22-18-14)15-6-3-9-21-15)19-8-7-12-4-1-2-5-13(12)11-19/h1-6,9-10H,7-8,11H2
InChIKeyKRHLNBMPDUWYEO-UHFFFAOYSA-N
XLogP3.13
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
(2,6-Dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 3463564
[5-(2-Furanyl)-3-isoxazolyl]-(4-methyl-1-piperidinyl)methanone
CID 4609473
N-(3-acetylphenyl)-5-(2-furyl)-3-isoxazolecarboxamide
CID 17253055
5-(2-furyl)-N-isobutylisoxazole-3-carboxamide
CID 3236696
4-{[5-(2-Furyl)isoxazol-3-yl]carbonyl}morpholine
CID 3239637
5-(furan-2-yl)-N-propyl-1,2-oxazole-3-carboxamide
CID 3240242
N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3241359
N-(3,4-dimethylphenyl)-5-(2-furanyl)-3-isoxazolecarboxamide
CID 3244522
5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 3245765
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 6619139
Methyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]benzoate
CID 6619217

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (CID 3237160) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is O=C(c1cc(-c2ccco2)on1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The InChIKey is KRHLNBMPDUWYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-17(14-10-16(22-18-14)15-6-3-9-21-15)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-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 294.31 g/mol, XLogP of 3.13, 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-(furan-2-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 3237160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).