6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole

C15H19FN2O — CID 54434812

IUPAC6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole
SMILESCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C15H19FN2O/c1-2-7-18-8-5-11(6-9-18)15-13-4-3-12(16)10-14(13)19-17-15/h3-4,10-11H,2,5-9H2,1H3
InChIKeyRUIFDUVNEYPMGO-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.56
Rot. Bonds3

About 6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole

6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole (PubChem CID 54434812) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole
PubChem CID54434812
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole
SMILESCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C15H19FN2O/c1-2-7-18-8-5-11(6-9-18)15-13-4-3-12(16)10-14(13)19-17-15/h3-4,10-11H,2,5-9H2,1H3
InChIKeyRUIFDUVNEYPMGO-UHFFFAOYSA-N
XLogP3.56
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole (CID 54434812) is 6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole is CCCN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole?
The InChIKey is RUIFDUVNEYPMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-2-7-18-8-5-11(6-9-18)15-13-4-3-12(16)10-14(13)19-17-15/h3-4,10-11H,2,5-9H2,1H3.
What are the key properties of 6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole?
6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole has a molecular weight of 262.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(1-propylpiperidin-4-yl)-1,2-benzoxazole is sourced from PubChem (CID 54434812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).