5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

C15H13N3O2 — CID 97433577

IUPAC5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(-c3nc([C@@H]4CCOC4)no3)nccc2c1
InChIInChI=1S/C15H13N3O2/c1-2-4-12-10(3-1)5-7-16-13(12)15-17-14(18-20-15)11-6-8-19-9-11/h1-5,7,11H,6,8-9H2/t11-/m1/s1
InChIKeyOHNHQMSVYLMOMM-LLVKDONJSA-N
MW267.29 g/mol
LogP2.79
Rot. Bonds2

About 5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97433577) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97433577
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(-c3nc([C@@H]4CCOC4)no3)nccc2c1
InChIInChI=1S/C15H13N3O2/c1-2-4-12-10(3-1)5-7-16-13(12)15-17-14(18-20-15)11-6-8-19-9-11/h1-5,7,11H,6,8-9H2/t11-/m1/s1
InChIKeyOHNHQMSVYLMOMM-LLVKDONJSA-N
XLogP2.79
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole
CID 97446166
5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136767992
1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916902
4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 91906748
5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136903584
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
5-(furan-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97018511
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437031
5-isoquinolin-1-yl-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961025
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524833
N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97456824

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97433577) is 5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is c1ccc2c(-c3nc([C@@H]4CCOC4)no3)nccc2c1.
What is the InChIKey of 5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is OHNHQMSVYLMOMM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-4-12-10(3-1)5-7-16-13(12)15-17-14(18-20-15)11-6-8-19-9-11/h1-5,7,11H,6,8-9H2/t11-/m1/s1.
What are the key properties of 5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 267.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97433577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).