5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole

C11H15F4N3O3 — CID 103473115

IUPAC5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
SMILESCC1(OCc2nc(COCC(F)(F)C(F)F)no2)CNC1
InChIInChI=1S/C11H15F4N3O3/c1-10(4-16-5-10)20-3-8-17-7(18-21-8)2-19-6-11(14,15)9(12)13/h9,16H,2-6H2,1H3
InChIKeyZSGJGXGKUBUALS-UHFFFAOYSA-N
MW313.25 g/mol
LogP1.37
Rot. Bonds8

About 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole

5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole (PubChem CID 103473115) has the molecular formula C11H15F4N3O3 and a molecular weight of 313.25 g/mol. Its IUPAC name is 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
PubChem CID103473115
Molecular FormulaC11H15F4N3O3
Molecular Weight313.25 g/mol
Exact Mass313.10
IUPAC Name5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
SMILESCC1(OCc2nc(COCC(F)(F)C(F)F)no2)CNC1
InChIInChI=1S/C11H15F4N3O3/c1-10(4-16-5-10)20-3-8-17-7(18-21-8)2-19-6-11(14,15)9(12)13/h9,16H,2-6H2,1H3
InChIKeyZSGJGXGKUBUALS-UHFFFAOYSA-N
XLogP1.37
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655530
N-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103473078
3-(tert-butylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655477
2-methyl-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103472963
3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103473064
3-(ethylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655473
2-methyl-N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 103472897
2-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 103473101
4-[[5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 102655351
2-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103473002
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 102655553
[1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 103473159

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole (CID 103473115) is 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole is CC1(OCc2nc(COCC(F)(F)C(F)F)no2)CNC1.
What is the InChIKey of 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole?
The InChIKey is ZSGJGXGKUBUALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O3/c1-10(4-16-5-10)20-3-8-17-7(18-21-8)2-19-6-11(14,15)9(12)13/h9,16H,2-6H2,1H3.
What are the key properties of 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole?
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole has a molecular weight of 313.25 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103473115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).