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

C13H13F2N3O2 — CID 103972068

IUPAC2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESFc1cccc(F)c1Cc1nc(C2CNCCO2)no1
InChIInChI=1S/C13H13F2N3O2/c14-9-2-1-3-10(15)8(9)6-12-17-13(18-20-12)11-7-16-4-5-19-11/h1-3,11,16H,4-7H2
InChIKeyUCGVCYVHKNEJDJ-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.60
Rot. Bonds3

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

2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103972068) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103972068
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESFc1cccc(F)c1Cc1nc(C2CNCCO2)no1
InChIInChI=1S/C13H13F2N3O2/c14-9-2-1-3-10(15)8(9)6-12-17-13(18-20-12)11-7-16-4-5-19-11/h1-3,11,16H,4-7H2
InChIKeyUCGVCYVHKNEJDJ-UHFFFAOYSA-N
XLogP1.60
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971859
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971788
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971796
2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 86276549
5-[(2-chloro-6-fluorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957597
N-ethyl-N-[(3-morpholin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 138059178
2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104637578
2-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972045
2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971807
2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972048
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine (CID 103972068) is 2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine is Fc1cccc(F)c1Cc1nc(C2CNCCO2)no1.
What is the InChIKey of 2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is UCGVCYVHKNEJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c14-9-2-1-3-10(15)8(9)6-12-17-13(18-20-12)11-7-16-4-5-19-11/h1-3,11,16H,4-7H2.
What are the key properties of 2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 281.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103972068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).