3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole

C11H16F2N2O2 — CID 166884990

IUPAC3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole
SMILESCCOC(C)c1cc(CN2CC(F)(F)C2)no1
InChIInChI=1S/C11H16F2N2O2/c1-3-16-8(2)10-4-9(14-17-10)5-15-6-11(12,13)7-15/h4,8H,3,5-7H2,1-2H3
InChIKeyHCCCLZAUCJLQII-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.22
Rot. Bonds5

About 3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole

3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole (PubChem CID 166884990) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole
PubChem CID166884990
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole
SMILESCCOC(C)c1cc(CN2CC(F)(F)C2)no1
InChIInChI=1S/C11H16F2N2O2/c1-3-16-8(2)10-4-9(14-17-10)5-15-6-11(12,13)7-15/h4,8H,3,5-7H2,1-2H3
InChIKeyHCCCLZAUCJLQII-UHFFFAOYSA-N
XLogP2.22
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole?
The IUPAC name of 3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole (CID 166884990) is 3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole.
What is the SMILES notation for 3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole?
The canonical SMILES for 3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole is CCOC(C)c1cc(CN2CC(F)(F)C2)no1.
What is the InChIKey of 3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole?
The InChIKey is HCCCLZAUCJLQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-3-16-8(2)10-4-9(14-17-10)5-15-6-11(12,13)7-15/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole?
3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole has a molecular weight of 246.26 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole is sourced from PubChem (CID 166884990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).