2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine

C13H14FN3O3 — CID 103972048

IUPAC2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCOc1ccc(-c2nc(C3CNCCO3)no2)c(F)c1
InChIInChI=1S/C13H14FN3O3/c1-18-8-2-3-9(10(14)6-8)13-16-12(17-20-13)11-7-15-4-5-19-11/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyDHVWWAOVOLFOPE-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.55
Rot. Bonds3

About 2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine

2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103972048) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103972048
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCOc1ccc(-c2nc(C3CNCCO3)no2)c(F)c1
InChIInChI=1S/C13H14FN3O3/c1-18-8-2-3-9(10(14)6-8)13-16-12(17-20-13)11-7-15-4-5-19-11/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyDHVWWAOVOLFOPE-UHFFFAOYSA-N
XLogP1.55
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971821
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-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972045
5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026122
2-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971978
2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971863
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971809
2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971807
2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971977
4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411856
2-[5-[(2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103972068

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103972048) is 2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine is COc1ccc(-c2nc(C3CNCCO3)no2)c(F)c1.
What is the InChIKey of 2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is DHVWWAOVOLFOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-18-8-2-3-9(10(14)6-8)13-16-12(17-20-13)11-7-15-4-5-19-11/h2-3,6,11,15H,4-5,7H2,1H3.
What are the key properties of 2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 279.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103972048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).