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

C22H22FN3O — CID 46834754

IUPAC6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCn4ccc5ccccc54)CC3)noc2c1
InChIInChI=1S/C22H22FN3O/c23-18-5-6-19-21(15-18)27-24-22(19)17-7-10-25(11-8-17)13-14-26-12-9-16-3-1-2-4-20(16)26/h1-6,9,12,15,17H,7-8,10-11,13-14H2
InChIKeyOHRPSEBMMWEYAK-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.80
Rot. Bonds4

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

6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole (PubChem CID 46834754) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole
PubChem CID46834754
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCn4ccc5ccccc54)CC3)noc2c1
InChIInChI=1S/C22H22FN3O/c23-18-5-6-19-21(15-18)27-24-22(19)17-7-10-25(11-8-17)13-14-26-12-9-16-3-1-2-4-20(16)26/h1-6,9,12,15,17H,7-8,10-11,13-14H2
InChIKeyOHRPSEBMMWEYAK-UHFFFAOYSA-N
XLogP4.80
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.80
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-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole (CID 46834754) is 6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole is Fc1ccc2c(C3CCN(CCn4ccc5ccccc54)CC3)noc2c1.
What is the InChIKey of 6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is OHRPSEBMMWEYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-18-5-6-19-21(15-18)27-24-22(19)17-7-10-25(11-8-17)13-14-26-12-9-16-3-1-2-4-20(16)26/h1-6,9,12,15,17H,7-8,10-11,13-14H2.
What are the key properties of 6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 363.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(2-indol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 46834754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).