2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine

C13H13F2N3O3 — CID 103971978

IUPAC2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESFC(F)Oc1cccc(-c2nc(C3CNCCO3)no2)c1
InChIInChI=1S/C13H13F2N3O3/c14-13(15)20-9-3-1-2-8(6-9)12-17-11(18-21-12)10-7-16-4-5-19-10/h1-3,6,10,13,16H,4-5,7H2
InChIKeyFDOLEYFQZUOLCL-UHFFFAOYSA-N
MW297.26 g/mol
LogP2.00
Rot. Bonds4

About 2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine

2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971978) has the molecular formula C13H13F2N3O3 and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971978
Molecular FormulaC13H13F2N3O3
Molecular Weight297.26 g/mol
Exact Mass297.09
IUPAC Name2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESFC(F)Oc1cccc(-c2nc(C3CNCCO3)no2)c1
InChIInChI=1S/C13H13F2N3O3/c14-13(15)20-9-3-1-2-8(6-9)12-17-11(18-21-12)10-7-16-4-5-19-10/h1-3,6,10,13,16H,4-5,7H2
InChIKeyFDOLEYFQZUOLCL-UHFFFAOYSA-N
XLogP2.00
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971977
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971796
2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104637578
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971809
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
(2R)-2-[4-(difluoromethoxy)phenyl]morpholine
CID 93302393
2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972048
2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971807
2-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971821
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971788

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine (CID 103971978) is 2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine is FC(F)Oc1cccc(-c2nc(C3CNCCO3)no2)c1.
What is the InChIKey of 2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is FDOLEYFQZUOLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O3/c14-13(15)20-9-3-1-2-8(6-9)12-17-11(18-21-12)10-7-16-4-5-19-10/h1-3,6,10,13,16H,4-5,7H2.
What are the key properties of 2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 297.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).