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

C13H12N4O2 — CID 63949235

IUPAC2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol
SMILESNC(CO)c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C13H12N4O2/c14-10(7-18)13-16-12(17-19-13)11-9-4-2-1-3-8(9)5-6-15-11/h1-6,10,18H,7,14H2
InChIKeyDLIOWHVKYMIOII-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.28
Rot. Bonds3

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

2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 63949235) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol
PubChem CID63949235
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol
SMILESNC(CO)c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C13H12N4O2/c14-10(7-18)13-16-12(17-19-13)11-9-4-2-1-3-8(9)5-6-15-11/h1-6,10,18H,7,14H2
InChIKeyDLIOWHVKYMIOII-UHFFFAOYSA-N
XLogP1.28
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 43110252
(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915947
(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63947643
1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 63948418
5-[1-(azetidin-3-yl)ethyl]-3-isoquinolin-1-yl-1,2,4-oxadiazole
CID 116682532
tert-butyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 126840248
2-amino-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63841519
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63949082
(2R)-2-amino-2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915670
(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915904
2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63554853
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetic acid
CID 63948422

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of 2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol (CID 63949235) is 2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol is NC(CO)c1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of 2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is DLIOWHVKYMIOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-10(7-18)13-16-12(17-19-13)11-9-4-2-1-3-8(9)5-6-15-11/h1-6,10,18H,7,14H2.
What are the key properties of 2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol?
2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol has a molecular weight of 256.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 63949235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).