2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one

C16H13N3O2 — CID 63949890

IUPAC2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
SMILESO=C1CCCC1c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C16H13N3O2/c20-13-7-3-6-12(13)16-18-15(19-21-16)14-11-5-2-1-4-10(11)8-9-17-14/h1-2,4-5,8-9,12H,3,6-7H2
InChIKeyLVOACRKXIATOPJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.12
Rot. Bonds2

About 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one

2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one (PubChem CID 63949890) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
PubChem CID63949890
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
SMILESO=C1CCCC1c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C16H13N3O2/c20-13-7-3-6-12(13)16-18-15(19-21-16)14-11-5-2-1-4-10(11)8-9-17-14/h1-2,4-5,8-9,12H,3,6-7H2
InChIKeyLVOACRKXIATOPJ-UHFFFAOYSA-N
XLogP3.12
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)thiane 1,1-dioxide
CID 126840136
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 63948617
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
CID 154769724
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63344285
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63344313
1-cyclopropyl-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanone
CID 63950495
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63344549
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide
CID 126802572
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 120834903
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 139000989
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120834902
3-isoquinolin-1-yl-1,2,4-oxadiazole-5-carbaldehyde
CID 63949892

Frequently Asked Questions

What is the IUPAC name of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one?
The IUPAC name of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one (CID 63949890) is 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one?
The canonical SMILES for 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one is O=C1CCCC1c1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one?
The InChIKey is LVOACRKXIATOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-13-7-3-6-12(13)16-18-15(19-21-16)14-11-5-2-1-4-10(11)8-9-17-14/h1-2,4-5,8-9,12H,3,6-7H2.
What are the key properties of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one?
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one has a molecular weight of 279.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one is sourced from PubChem (CID 63949890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).