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

C24H25FN4O2 — CID 59017606

IUPAC6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(c4ccc5c(C6CCNCC6)noc5c4)CC3)noc2c1
InChIInChI=1S/C24H25FN4O2/c25-17-1-3-19-21(13-17)30-28-24(19)16-7-11-29(12-8-16)18-2-4-20-22(14-18)31-27-23(20)15-5-9-26-10-6-15/h1-4,13-16,26H,5-12H2
InChIKeyLLIWRHGEHGEQJI-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.96
Rot. Bonds3

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

6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole (PubChem CID 59017606) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole
PubChem CID59017606
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(c4ccc5c(C6CCNCC6)noc5c4)CC3)noc2c1
InChIInChI=1S/C24H25FN4O2/c25-17-1-3-19-21(13-17)30-28-24(19)16-7-11-29(12-8-16)18-2-4-20-22(14-18)31-27-23(20)15-5-9-26-10-6-15/h1-4,13-16,26H,5-12H2
InChIKeyLLIWRHGEHGEQJI-UHFFFAOYSA-N
XLogP4.96
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole (CID 59017606) is 6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole is Fc1ccc2c(C3CCN(c4ccc5c(C6CCNCC6)noc5c4)CC3)noc2c1.
What is the InChIKey of 6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is LLIWRHGEHGEQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-17-1-3-19-21(13-17)30-28-24(19)16-7-11-29(12-8-16)18-2-4-20-22(14-18)31-27-23(20)15-5-9-26-10-6-15/h1-4,13-16,26H,5-12H2.
What are the key properties of 6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 420.49 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 59017606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).