3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine

C13H14ClN3O2 — CID 103971569

IUPAC3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1cccc(-c2nc(C3COCCN3)no2)c1Cl
InChIInChI=1S/C13H14ClN3O2/c1-8-3-2-4-9(11(8)14)13-16-12(17-19-13)10-7-18-6-5-15-10/h2-4,10,15H,5-7H2,1H3
InChIKeyKNRUEPYGWBYJGT-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.36
Rot. Bonds2

About 3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine

3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971569) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971569
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1cccc(-c2nc(C3COCCN3)no2)c1Cl
InChIInChI=1S/C13H14ClN3O2/c1-8-3-2-4-9(11(8)14)13-16-12(17-19-13)10-7-18-6-5-15-10/h2-4,10,15H,5-7H2,1H3
InChIKeyKNRUEPYGWBYJGT-UHFFFAOYSA-N
XLogP2.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360104
3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 107099560
3-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971488
3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 136883340
3-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360122
3-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971456
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 75484051
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104672077
3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971678
3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
CID 75484037
5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317314

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971569) is 3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine is Cc1cccc(-c2nc(C3COCCN3)no2)c1Cl.
What is the InChIKey of 3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is KNRUEPYGWBYJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-3-2-4-9(11(8)14)13-16-12(17-19-13)10-7-18-6-5-15-10/h2-4,10,15H,5-7H2,1H3.
What are the key properties of 3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 279.73 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).