2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid

C15H11N3O3 — CID 63948617

IUPAC2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C15H11N3O3/c19-15(20)11-7-10(11)14-17-13(18-21-14)12-9-4-2-1-3-8(9)5-6-16-12/h1-6,10-11H,7H2,(H,19,20)
InChIKeyOVYXNKYZWDNPEA-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.47
Rot. Bonds3

About 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid

2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 63948617) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID63948617
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C15H11N3O3/c19-15(20)11-7-10(11)14-17-13(18-21-14)12-9-4-2-1-3-8(9)5-6-16-12/h1-6,10-11H,7H2,(H,19,20)
InChIKeyOVYXNKYZWDNPEA-UHFFFAOYSA-N
XLogP2.47
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (CID 63948617) is 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is OVYXNKYZWDNPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-15(20)11-7-10(11)14-17-13(18-21-14)12-9-4-2-1-3-8(9)5-6-16-12/h1-6,10-11H,7H2,(H,19,20).
What are the key properties of 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 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)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 63948617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).