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

C12H13Cl2N3O2 — CID 120835896

IUPAC(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
SMILESCl.Clc1cccc(-c2noc([C@@H]3CNCCO3)n2)c1
InChIInChI=1S/C12H12ClN3O2.ClH/c13-9-3-1-2-8(6-9)11-15-12(18-16-11)10-7-14-4-5-17-10;/h1-3,6,10,14H,4-5,7H2;1H/t10-;/m0./s1
InChIKeyOXQBXZIMAQRLBZ-PPHPATTJSA-N
MW302.16 g/mol
LogP2.47
Rot. Bonds2

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

(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (PubChem CID 120835896) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is (2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
PubChem CID120835896
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
SMILESCl.Clc1cccc(-c2noc([C@@H]3CNCCO3)n2)c1
InChIInChI=1S/C12H12ClN3O2.ClH/c13-9-3-1-2-8(6-9)11-15-12(18-16-11)10-7-14-4-5-17-10;/h1-3,6,10,14H,4-5,7H2;1H/t10-;/m0./s1
InChIKeyOXQBXZIMAQRLBZ-PPHPATTJSA-N
XLogP2.47
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120836734
(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120836949
(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838767
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120833718
(2R)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120838766
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840399
4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135991810
(2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120840936
(2R)-2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120892309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The IUPAC name of (2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (CID 120835896) is (2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The canonical SMILES for (2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is Cl.Clc1cccc(-c2noc([C@@H]3CNCCO3)n2)c1.
What is the InChIKey of (2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The InChIKey is OXQBXZIMAQRLBZ-PPHPATTJSA-N. The full InChI is InChI=1S/C12H12ClN3O2.ClH/c13-9-3-1-2-8(6-9)11-15-12(18-16-11)10-7-14-4-5-17-10;/h1-3,6,10,14H,4-5,7H2;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride has a molecular weight of 302.16 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is sourced from PubChem (CID 120835896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).