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

C11H13ClN4O2 — CID 120836949

IUPAC(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
SMILESCl.c1cncc(-c2noc([C@@H]3CNCCO3)n2)c1
InChIInChI=1S/C11H12N4O2.ClH/c1-2-8(6-12-3-1)10-14-11(17-15-10)9-7-13-4-5-16-9;/h1-3,6,9,13H,4-5,7H2;1H/t9-;/m0./s1
InChIKeyVSPLVSFCQKPXJP-FVGYRXGTSA-N
MW268.70 g/mol
LogP1.21
Rot. Bonds2

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

(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride (PubChem CID 120836949) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is (2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
PubChem CID120836949
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
SMILESCl.c1cncc(-c2noc([C@@H]3CNCCO3)n2)c1
InChIInChI=1S/C11H12N4O2.ClH/c1-2-8(6-12-3-1)10-14-11(17-15-10)9-7-13-4-5-16-9;/h1-3,6,9,13H,4-5,7H2;1H/t9-;/m0./s1
InChIKeyVSPLVSFCQKPXJP-FVGYRXGTSA-N
XLogP1.21
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135991810
(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120836734
(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835614
(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;hydrochloride
CID 120834902
(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838767
5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 114085802
2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 62716226

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The IUPAC name of (2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride (CID 120836949) is (2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The canonical SMILES for (2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride is Cl.c1cncc(-c2noc([C@@H]3CNCCO3)n2)c1.
What is the InChIKey of (2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
The InChIKey is VSPLVSFCQKPXJP-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H12N4O2.ClH/c1-2-8(6-12-3-1)10-14-11(17-15-10)9-7-13-4-5-16-9;/h1-3,6,9,13H,4-5,7H2;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride?
(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride has a molecular weight of 268.70 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride is sourced from PubChem (CID 120836949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).