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

C22H23FN4O — CID 46830721

IUPAC6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCCn4ncc5ccccc54)CC3)noc2c1
InChIInChI=1S/C22H23FN4O/c23-18-6-7-19-21(14-18)28-25-22(19)16-8-12-26(13-9-16)10-3-11-27-20-5-2-1-4-17(20)15-24-27/h1-2,4-7,14-16H,3,8-13H2
InChIKeyKZAUNPQKFFAWPX-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.59
Rot. Bonds5

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

6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole (PubChem CID 46830721) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole
PubChem CID46830721
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCCn4ncc5ccccc54)CC3)noc2c1
InChIInChI=1S/C22H23FN4O/c23-18-6-7-19-21(14-18)28-25-22(19)16-8-12-26(13-9-16)10-3-11-27-20-5-2-1-4-17(20)15-24-27/h1-2,4-7,14-16H,3,8-13H2
InChIKeyKZAUNPQKFFAWPX-UHFFFAOYSA-N
XLogP4.59
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole (CID 46830721) is 6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole is Fc1ccc2c(C3CCN(CCCn4ncc5ccccc54)CC3)noc2c1.
What is the InChIKey of 6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is KZAUNPQKFFAWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-18-6-7-19-21(14-18)28-25-22(19)16-8-12-26(13-9-16)10-3-11-27-20-5-2-1-4-17(20)15-24-27/h1-2,4-7,14-16H,3,8-13H2.
What are the key properties of 6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 378.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(3-indazol-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 46830721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).