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

C12H14ClN3O2 — CID 120835102

IUPAC(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
SMILESCl.c1ccc(-c2noc([C@@H]3CNCCO3)n2)cc1
InChIInChI=1S/C12H13N3O2.ClH/c1-2-4-9(5-3-1)11-14-12(17-15-11)10-8-13-6-7-16-10;/h1-5,10,13H,6-8H2;1H/t10-;/m0./s1
InChIKeyYESOYHSJHPHRFG-PPHPATTJSA-N
MW267.72 g/mol
LogP1.82
Rot. Bonds2

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

(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride (PubChem CID 120835102) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
PubChem CID120835102
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
SMILESCl.c1ccc(-c2noc([C@@H]3CNCCO3)n2)cc1
InChIInChI=1S/C12H13N3O2.ClH/c1-2-4-9(5-3-1)11-14-12(17-15-11)10-8-13-6-7-16-10;/h1-5,10,13H,6-8H2;1H/t10-;/m0./s1
InChIKeyYESOYHSJHPHRFG-PPHPATTJSA-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

(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120836949
4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135991810
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896
(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120833718
(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120836734
2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 62716226
(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835614
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120834902
(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838767
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 120834903
(2R)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120838766

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The IUPAC name of (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride (CID 120835102) is (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The canonical SMILES for (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride is Cl.c1ccc(-c2noc([C@@H]3CNCCO3)n2)cc1.
What is the InChIKey of (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The InChIKey is YESOYHSJHPHRFG-PPHPATTJSA-N. The full InChI is InChI=1S/C12H13N3O2.ClH/c1-2-4-9(5-3-1)11-14-12(17-15-11)10-8-13-6-7-16-10;/h1-5,10,13H,6-8H2;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
(2S)-2-(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 (2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride is sourced from PubChem (CID 120835102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).