(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine

C14H17N3O2 — CID 120834209

IUPAC(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESc1ccc(CCc2noc([C@H]3CNCCO3)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-4-11(5-3-1)6-7-13-16-14(19-17-13)12-10-15-8-9-18-12/h1-5,12,15H,6-10H2/t12-/m1/s1
InChIKeyJPCZIBWNZOIFKZ-GFCCVEGCSA-N
MW259.31 g/mol
LogP1.52
Rot. Bonds4

About (2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine

(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 120834209) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID120834209
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESc1ccc(CCc2noc([C@H]3CNCCO3)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-4-11(5-3-1)6-7-13-16-14(19-17-13)12-10-15-8-9-18-12/h1-5,12,15H,6-10H2/t12-/m1/s1
InChIKeyJPCZIBWNZOIFKZ-GFCCVEGCSA-N
XLogP1.52
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120836385
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
(2S)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120838954
(2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838949
2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 62716226
N-(4-methylphenyl)-2-[5-[(2R)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835397
(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120893635
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
(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
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 120834903

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of (2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 120834209) is (2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for (2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for (2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine is c1ccc(CCc2noc([C@H]3CNCCO3)n2)cc1.
What is the InChIKey of (2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is JPCZIBWNZOIFKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-4-11(5-3-1)6-7-13-16-14(19-17-13)12-10-15-8-9-18-12/h1-5,12,15H,6-10H2/t12-/m1/s1.
What are the key properties of (2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine?
(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 259.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 120834209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).