(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride

C15H15ClN4O2 — CID 120834902

IUPAC(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
SMILESCl.c1ccc2c(-c3noc([C@H]4CNCCO4)n3)nccc2c1
InChIInChI=1S/C15H14N4O2.ClH/c1-2-4-11-10(3-1)5-6-17-13(11)14-18-15(21-19-14)12-9-16-7-8-20-12;/h1-6,12,16H,7-9H2;1H/t12-;/m1./s1
InChIKeyLYGGAYSYIJZYQN-UTONKHPSSA-N
MW318.76 g/mol
LogP2.37
Rot. Bonds2

About (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride

(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride (PubChem CID 120834902) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
PubChem CID120834902
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
SMILESCl.c1ccc2c(-c3noc([C@H]4CNCCO4)n3)nccc2c1
InChIInChI=1S/C15H14N4O2.ClH/c1-2-4-11-10(3-1)5-6-17-13(11)14-18-15(21-19-14)12-9-16-7-8-20-12;/h1-6,12,16H,7-9H2;1H/t12-;/m1./s1
InChIKeyLYGGAYSYIJZYQN-UTONKHPSSA-N
XLogP2.37
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 120834903
2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 62716226
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 113329298
(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120833718
(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120836949
(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120836734
(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835614
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 79720207
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 79786760
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The IUPAC name of (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride (CID 120834902) is (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride.
What is the SMILES notation for (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The canonical SMILES for (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride is Cl.c1ccc2c(-c3noc([C@H]4CNCCO4)n3)nccc2c1.
What is the InChIKey of (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The InChIKey is LYGGAYSYIJZYQN-UTONKHPSSA-N. The full InChI is InChI=1S/C15H14N4O2.ClH/c1-2-4-11-10(3-1)5-6-17-13(11)14-18-15(21-19-14)12-9-16-7-8-20-12;/h1-6,12,16H,7-9H2;1H/t12-;/m1./s1.
What are the key properties of (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride has a molecular weight of 318.76 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride is sourced from PubChem (CID 120834902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).