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

C20H18N2O2S — CID 90502513

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
SMILESO=C(N1CCc2ccccc2C1)C1(c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C20H18N2O2S/c23-19(22-10-7-14-4-1-2-5-15(14)13-22)20(8-9-20)18-12-16(24-21-18)17-6-3-11-25-17/h1-6,11-12H,7-10,13H2
InChIKeyAVKGNYCLBVAIQV-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.02
Rot. Bonds3

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

3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone (PubChem CID 90502513) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
PubChem CID90502513
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
SMILESO=C(N1CCc2ccccc2C1)C1(c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C20H18N2O2S/c23-19(22-10-7-14-4-1-2-5-15(14)13-22)20(8-9-20)18-12-16(24-21-18)17-6-3-11-25-17/h1-6,11-12H,7-10,13H2
InChIKeyAVKGNYCLBVAIQV-UHFFFAOYSA-N
XLogP4.02
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502501
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
CID 102543851
N-benzhydryl-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502552
N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502598
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110411008
N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502682
N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502699
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502473
[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 75403236
[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanol
CID 102543890
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 2593078
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90503094

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone (CID 90502513) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone is O=C(N1CCc2ccccc2C1)C1(c2cc(-c3cccs3)on2)CC1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone?
The InChIKey is AVKGNYCLBVAIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-19(22-10-7-14-4-1-2-5-15(14)13-22)20(8-9-20)18-12-16(24-21-18)17-6-3-11-25-17/h1-6,11-12H,7-10,13H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone has a molecular weight of 350.44 g/mol, XLogP of 4.02, 3 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-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone is sourced from PubChem (CID 90502513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).