(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine

C12H11Cl2N3O2 — CID 120836734

IUPAC(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESClc1cccc(Cl)c1-c1noc([C@@H]2CNCCO2)n1
InChIInChI=1S/C12H11Cl2N3O2/c13-7-2-1-3-8(14)10(7)11-16-12(19-17-11)9-6-15-4-5-18-9/h1-3,9,15H,4-6H2/t9-/m0/s1
InChIKeyHPSHNYMNQJBXGT-VIFPVBQESA-N
MW300.14 g/mol
LogP2.70
Rot. Bonds2

About (2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine

(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 120836734) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.14 g/mol. Its IUPAC name is (2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID120836734
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC Name(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESClc1cccc(Cl)c1-c1noc([C@@H]2CNCCO2)n1
InChIInChI=1S/C12H11Cl2N3O2/c13-7-2-1-3-8(14)10(7)11-16-12(19-17-11)9-6-15-4-5-18-9/h1-3,9,15H,4-6H2/t9-/m0/s1
InChIKeyHPSHNYMNQJBXGT-VIFPVBQESA-N
XLogP2.70
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120833718
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 62716226
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 79786760
4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135991810
(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835614
(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120836949
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104788838
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 120834903
2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 167993104

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of (2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 120836734) is (2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for (2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for (2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine is Clc1cccc(Cl)c1-c1noc([C@@H]2CNCCO2)n1.
What is the InChIKey of (2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is HPSHNYMNQJBXGT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c13-7-2-1-3-8(14)10(7)11-16-12(19-17-11)9-6-15-4-5-18-9/h1-3,9,15H,4-6H2/t9-/m0/s1.
What are the key properties of (2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine?
(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 300.14 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 120836734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).