(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride

C13H16ClN3O3 — CID 120836385

IUPAC(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
SMILESCl.c1ccc(OCc2noc([C@@H]3CNCCO3)n2)cc1
InChIInChI=1S/C13H15N3O3.ClH/c1-2-4-10(5-3-1)18-9-12-15-13(19-16-12)11-8-14-6-7-17-11;/h1-5,11,14H,6-9H2;1H/t11-;/m0./s1
InChIKeyGDGIFUDIMAWHHZ-MERQFXBCSA-N
MW297.74 g/mol
LogP1.73
Rot. Bonds4

About (2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride

(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (PubChem CID 120836385) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is (2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
PubChem CID120836385
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
SMILESCl.c1ccc(OCc2noc([C@@H]3CNCCO3)n2)cc1
InChIInChI=1S/C13H15N3O3.ClH/c1-2-4-10(5-3-1)18-9-12-15-13(19-16-12)11-8-14-6-7-17-11;/h1-5,11,14H,6-9H2;1H/t11-;/m0./s1
InChIKeyGDGIFUDIMAWHHZ-MERQFXBCSA-N
XLogP1.73
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120893635
(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120834209
(2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838949
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971788
3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62717200
(2S)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120838954
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 129381348
[(2R,5R)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 129372919
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120834902
(2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120837076

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The IUPAC name of (2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (CID 120836385) is (2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The canonical SMILES for (2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is Cl.c1ccc(OCc2noc([C@@H]3CNCCO3)n2)cc1.
What is the InChIKey of (2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The InChIKey is GDGIFUDIMAWHHZ-MERQFXBCSA-N. The full InChI is InChI=1S/C13H15N3O3.ClH/c1-2-4-10(5-3-1)18-9-12-15-13(19-16-12)11-8-14-6-7-17-11;/h1-5,11,14H,6-9H2;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride has a molecular weight of 297.74 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is sourced from PubChem (CID 120836385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).