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

C12H14ClN3O2 — CID 91663021

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
SMILESCl.c1ccc(-c2noc(C3COCCN3)n2)cc1
InChIInChI=1S/C12H13N3O2.ClH/c1-2-4-9(5-3-1)11-14-12(17-15-11)10-8-16-7-6-13-10;/h1-5,10,13H,6-8H2;1H
InChIKeyZUGXHPSDEVSCOR-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.82
Rot. Bonds2

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

3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride (PubChem CID 91663021) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
PubChem CID91663021
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
SMILESCl.c1ccc(-c2noc(C3COCCN3)n2)cc1
InChIInChI=1S/C12H13N3O2.ClH/c1-2-4-9(5-3-1)11-14-12(17-15-11)10-8-16-7-6-13-10;/h1-5,10,13H,6-8H2;1H
InChIKeyZUGXHPSDEVSCOR-UHFFFAOYSA-N
XLogP1.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 136984490
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 114876910
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911082
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474300
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride
CID 170918364
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900526
3-(4-phenyl-1,3-thiazol-2-yl)morpholine
CID 83439832
3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971723
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119999990

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride (CID 91663021) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride is Cl.c1ccc(-c2noc(C3COCCN3)n2)cc1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The InChIKey is ZUGXHPSDEVSCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2.ClH/c1-2-4-9(5-3-1)11-14-12(17-15-11)10-8-16-7-6-13-10;/h1-5,10,13H,6-8H2;1H.
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride has a molecular weight of 267.72 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride is sourced from PubChem (CID 91663021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).