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

C12H9N3O2 — CID 63947643

IUPAC(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol
SMILESOCc1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C12H9N3O2/c16-7-10-14-12(15-17-10)11-9-4-2-1-3-8(9)5-6-13-11/h1-6,16H,7H2
InChIKeyWWGOKIKCINOCAF-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.78
Rot. Bonds2

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

(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol (PubChem CID 63947643) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is (3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol
PubChem CID63947643
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol
SMILESOCc1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C12H9N3O2/c16-7-10-14-12(15-17-10)11-9-4-2-1-3-8(9)5-6-13-11/h1-6,16H,7H2
InChIKeyWWGOKIKCINOCAF-UHFFFAOYSA-N
XLogP1.78
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetic acid
CID 63948422
methyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79475323
1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 63948418
1-cyclopropyl-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanone
CID 63950495
2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63949235
ethyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79481902
3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 63950448
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63949082
3-isoquinolin-1-yl-1,2,4-oxadiazole-5-carbaldehyde
CID 63949892
(3-isoquinolin-1-yl-1H-1,2,4-triazol-5-yl)methanol
CID 79601052
N-ethyl-3-isoquinolin-1-yl-1,2,4-oxadiazol-5-amine
CID 63950489
(2S)-2-amino-N-[(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutanamide;hydrochloride
CID 120834896

Frequently Asked Questions

What is the IUPAC name of (3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name of (3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol (CID 63947643) is (3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol.
What is the SMILES notation for (3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol?
The canonical SMILES for (3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol is OCc1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of (3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is WWGOKIKCINOCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-7-10-14-12(15-17-10)11-9-4-2-1-3-8(9)5-6-13-11/h1-6,16H,7H2.
What are the key properties of (3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol?
(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol has a molecular weight of 227.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol is sourced from PubChem (CID 63947643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).