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

C15H14N4O2 — CID 120834903

IUPAC(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine
SMILESc1ccc2c(-c3noc([C@H]4CNCCO4)n3)nccc2c1
InChIInChI=1S/C15H14N4O2/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/t12-/m1/s1
InChIKeyMWRGNPBPKFKVMU-GFCCVEGCSA-N
MW282.30 g/mol
LogP1.95
Rot. Bonds2

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

(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 120834903) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID120834903
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine
SMILESc1ccc2c(-c3noc([C@H]4CNCCO4)n3)nccc2c1
InChIInChI=1S/C15H14N4O2/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/t12-/m1/s1
InChIKeyMWRGNPBPKFKVMU-GFCCVEGCSA-N
XLogP1.95
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.95
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;hydrochloride
CID 120834902
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-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120836734
(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
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
4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135991810
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104788838

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine (CID 120834903) is (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine is 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?
The InChIKey is MWRGNPBPKFKVMU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14N4O2/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/t12-/m1/s1.
What are the key properties of (2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine?
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 282.30 g/mol, XLogP of 1.95, 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 is sourced from PubChem (CID 120834903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).