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

C13H14BrN3O2 — CID 103971809

IUPAC2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1ccc(-c2nc(C3CNCCO3)no2)cc1Br
InChIInChI=1S/C13H14BrN3O2/c1-8-2-3-9(6-10(8)14)13-16-12(17-19-13)11-7-15-4-5-18-11/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyHGVYZSAXHKXDGN-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.47
Rot. Bonds2

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

2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971809) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971809
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1ccc(-c2nc(C3CNCCO3)no2)cc1Br
InChIInChI=1S/C13H14BrN3O2/c1-8-2-3-9(6-10(8)14)13-16-12(17-19-13)11-7-15-4-5-18-11/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyHGVYZSAXHKXDGN-UHFFFAOYSA-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 ≤ 500324.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971796
2-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972045
2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971869
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-(3-bromo-4-methylphenyl)morpholine
CID 83730909
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-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971978
2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971807
2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971863
2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972048

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971809) is 2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine is Cc1ccc(-c2nc(C3CNCCO3)no2)cc1Br.
What is the InChIKey of 2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is HGVYZSAXHKXDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8-2-3-9(6-10(8)14)13-16-12(17-19-13)11-7-15-4-5-18-11/h2-3,6,11,15H,4-5,7H2,1H3.
What are the key properties of 2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 324.18 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 2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).