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

C13H14ClN3O2 — CID 103971869

IUPAC2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1cc(Cl)cc(-c2nc(C3CNCCO3)no2)c1
InChIInChI=1S/C13H14ClN3O2/c1-8-4-9(6-10(14)5-8)13-16-12(17-19-13)11-7-15-2-3-18-11/h4-6,11,15H,2-3,7H2,1H3
InChIKeyTXPULXMGSVTTSY-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.36
Rot. Bonds2

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

2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971869) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971869
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1cc(Cl)cc(-c2nc(C3CNCCO3)no2)c1
InChIInChI=1S/C13H14ClN3O2/c1-8-4-9(6-10(14)5-8)13-16-12(17-19-13)11-7-15-2-3-18-11/h4-6,11,15H,2-3,7H2,1H3
InChIKeyTXPULXMGSVTTSY-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 2-[5-(3-chloro-5-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

2-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972045
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971809
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971796
2-(3-chloro-5-methylphenyl)morpholine
CID 83703313
2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 104630877
2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104637578
2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971977
2-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971821
2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971978
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142
2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971863
2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971807

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971869) is 2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine is Cc1cc(Cl)cc(-c2nc(C3CNCCO3)no2)c1.
What is the InChIKey of 2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is TXPULXMGSVTTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-4-9(6-10(14)5-8)13-16-12(17-19-13)11-7-15-2-3-18-11/h4-6,11,15H,2-3,7H2,1H3.
What are the key properties of 2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-(3-chloro-5-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 2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).