2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine

C12H10BrF2N3O2 — CID 104637578

IUPAC2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESFc1cc(Br)cc(F)c1-c1nc(C2CNCCO2)no1
InChIInChI=1S/C12H10BrF2N3O2/c13-6-3-7(14)10(8(15)4-6)12-17-11(18-20-12)9-5-16-1-2-19-9/h3-4,9,16H,1-2,5H2
InChIKeyZAUPDRIVIPBWEA-UHFFFAOYSA-N
MW346.13 g/mol
LogP2.44
Rot. Bonds2

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

2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 104637578) has the molecular formula C12H10BrF2N3O2 and a molecular weight of 346.13 g/mol. Its IUPAC name is 2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID104637578
Molecular FormulaC12H10BrF2N3O2
Molecular Weight346.13 g/mol
Exact Mass344.99
IUPAC Name2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESFc1cc(Br)cc(F)c1-c1nc(C2CNCCO2)no1
InChIInChI=1S/C12H10BrF2N3O2/c13-6-3-7(14)10(8(15)4-6)12-17-11(18-20-12)9-5-16-1-2-19-9/h3-4,9,16H,1-2,5H2
InChIKeyZAUPDRIVIPBWEA-UHFFFAOYSA-N
XLogP2.44
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.13
LogP ≤ 52.44
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-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 104630877
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971809
2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971869
2-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971821
2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971977
2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972048
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-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103972068
2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971859

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 104637578) is 2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine is Fc1cc(Br)cc(F)c1-c1nc(C2CNCCO2)no1.
What is the InChIKey of 2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is ZAUPDRIVIPBWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2N3O2/c13-6-3-7(14)10(8(15)4-6)12-17-11(18-20-12)9-5-16-1-2-19-9/h3-4,9,16H,1-2,5H2.
What are the key properties of 2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 346.13 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 104637578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).