3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine

C10H14F3N3O3 — CID 103146078

IUPAC3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine
SMILESFC(F)(F)COCCc1noc(C2COCCN2)n1
InChIInChI=1S/C10H14F3N3O3/c11-10(12,13)6-18-3-1-8-15-9(19-16-8)7-5-17-4-2-14-7/h7,14H,1-6H2
InChIKeyOZSUVQXLLJSAGM-UHFFFAOYSA-N
MW281.23 g/mol
LogP0.85
Rot. Bonds5

About 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine

3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 103146078) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID103146078
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine
SMILESFC(F)(F)COCCc1noc(C2COCCN2)n1
InChIInChI=1S/C10H14F3N3O3/c11-10(12,13)6-18-3-1-8-15-9(19-16-8)7-5-17-4-2-14-7/h7,14H,1-6H2
InChIKeyOZSUVQXLLJSAGM-UHFFFAOYSA-N
XLogP0.85
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 103150917
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103146144
5-(4-ethylpiperidin-2-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472669
3-[2-(oxan-4-ylmethoxy)ethyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 99727967
3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103145892
5-[(2S)-pyrrolidin-2-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104900718
5-thiomorpholin-3-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 82904776
3-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 66039920
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 116702661
2,3-dimethyl-3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103146017
N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 103145886
5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 82905084

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine (CID 103146078) is 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine is FC(F)(F)COCCc1noc(C2COCCN2)n1.
What is the InChIKey of 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is OZSUVQXLLJSAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c11-10(12,13)6-18-3-1-8-15-9(19-16-8)7-5-17-4-2-14-7/h7,14H,1-6H2.
What are the key properties of 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine?
3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 281.23 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 103146078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).