6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole

C13H15FN2O2 — CID 63870572

IUPAC6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
SMILESFc1ccc2nc(COC3CCNCC3)oc2c1
InChIInChI=1S/C13H15FN2O2/c14-9-1-2-11-12(7-9)18-13(16-11)8-17-10-3-5-15-6-4-10/h1-2,7,10,15H,3-6,8H2
InChIKeyWTVIBOPZTJDYHP-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.24
Rot. Bonds3

About 6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole

6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole (PubChem CID 63870572) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
PubChem CID63870572
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
SMILESFc1ccc2nc(COC3CCNCC3)oc2c1
InChIInChI=1S/C13H15FN2O2/c14-9-1-2-11-12(7-9)18-13(16-11)8-17-10-3-5-15-6-4-10/h1-2,7,10,15H,3-6,8H2
InChIKeyWTVIBOPZTJDYHP-UHFFFAOYSA-N
XLogP2.24
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole?
The IUPAC name of 6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole (CID 63870572) is 6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole.
What is the SMILES notation for 6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole?
The canonical SMILES for 6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole is Fc1ccc2nc(COC3CCNCC3)oc2c1.
What is the InChIKey of 6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole?
The InChIKey is WTVIBOPZTJDYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-9-1-2-11-12(7-9)18-13(16-11)8-17-10-3-5-15-6-4-10/h1-2,7,10,15H,3-6,8H2.
What are the key properties of 6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole?
6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole has a molecular weight of 250.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole is sourced from PubChem (CID 63870572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).