6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole

C23H24FN3O — CID 46834755

IUPAC6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCCn4ccc5ccccc54)CC3)noc2c1
InChIInChI=1S/C23H24FN3O/c24-19-6-7-20-22(16-19)28-25-23(20)18-8-13-26(14-9-18)11-3-12-27-15-10-17-4-1-2-5-21(17)27/h1-2,4-7,10,15-16,18H,3,8-9,11-14H2
InChIKeyGXKYDDZOEVSHHW-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.19
Rot. Bonds5

About 6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole

6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole (PubChem CID 46834755) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole
PubChem CID46834755
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCCn4ccc5ccccc54)CC3)noc2c1
InChIInChI=1S/C23H24FN3O/c24-19-6-7-20-22(16-19)28-25-23(20)18-8-13-26(14-9-18)11-3-12-27-15-10-17-4-1-2-5-21(17)27/h1-2,4-7,10,15-16,18H,3,8-9,11-14H2
InChIKeyGXKYDDZOEVSHHW-UHFFFAOYSA-N
XLogP5.19
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole (CID 46834755) is 6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole is Fc1ccc2c(C3CCN(CCCn4ccc5ccccc54)CC3)noc2c1.
What is the InChIKey of 6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is GXKYDDZOEVSHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-19-6-7-20-22(16-19)28-25-23(20)18-8-13-26(14-9-18)11-3-12-27-15-10-17-4-1-2-5-21(17)27/h1-2,4-7,10,15-16,18H,3,8-9,11-14H2.
What are the key properties of 6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 377.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(3-indol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 46834755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).