3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole

C11H11FN2O — CID 171326457

IUPAC3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole
SMILESFC1CN(Cc2noc3ccccc23)C1
InChIInChI=1S/C11H11FN2O/c12-8-5-14(6-8)7-10-9-3-1-2-4-11(9)15-13-10/h1-4,8H,5-7H2
InChIKeyDJYSPQWIXZPKDS-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.98
Rot. Bonds2

About 3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole

3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole (PubChem CID 171326457) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole
PubChem CID171326457
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole
SMILESFC1CN(Cc2noc3ccccc23)C1
InChIInChI=1S/C11H11FN2O/c12-8-5-14(6-8)7-10-9-3-1-2-4-11(9)15-13-10/h1-4,8H,5-7H2
InChIKeyDJYSPQWIXZPKDS-UHFFFAOYSA-N
XLogP1.98
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole?
The IUPAC name of 3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole (CID 171326457) is 3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole?
The canonical SMILES for 3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole is FC1CN(Cc2noc3ccccc23)C1.
What is the InChIKey of 3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole?
The InChIKey is DJYSPQWIXZPKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-8-5-14(6-8)7-10-9-3-1-2-4-11(9)15-13-10/h1-4,8H,5-7H2.
What are the key properties of 3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole?
3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole has a molecular weight of 206.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole is sourced from PubChem (CID 171326457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).