2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine

C13H14BrN3O2 — CID 103971859

IUPAC2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESBrc1cccc(Cc2nc(C3CNCCO3)no2)c1
InChIInChI=1S/C13H14BrN3O2/c14-10-3-1-2-9(6-10)7-12-16-13(17-19-12)11-8-15-4-5-18-11/h1-3,6,11,15H,4-5,7-8H2
InChIKeyZIBWXPZWTFXSHL-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.08
Rot. Bonds3

About 2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine

2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971859) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971859
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESBrc1cccc(Cc2nc(C3CNCCO3)no2)c1
InChIInChI=1S/C13H14BrN3O2/c14-10-3-1-2-9(6-10)7-12-16-13(17-19-12)11-8-15-4-5-18-11/h1-3,6,11,15H,4-5,7-8H2
InChIKeyZIBWXPZWTFXSHL-UHFFFAOYSA-N
XLogP2.08
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103972068
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971788
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104637578
2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 86276549
N-ethyl-N-[(3-morpholin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 138059178
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-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971977
2-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972045
2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 104630877
2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971869

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine (CID 103971859) is 2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine is Brc1cccc(Cc2nc(C3CNCCO3)no2)c1.
What is the InChIKey of 2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is ZIBWXPZWTFXSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-10-3-1-2-9(6-10)7-12-16-13(17-19-12)11-8-15-4-5-18-11/h1-3,6,11,15H,4-5,7-8H2.
What are the key properties of 2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 324.18 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).