6-fluoro-3-piperazin-1-yl-1,2-benzoxazole

C11H12FN3O — CID 19805377

IUPAC6-fluoro-3-piperazin-1-yl-1,2-benzoxazole
SMILESFc1ccc2c(N3CCNCC3)noc2c1
InChIInChI=1S/C11H12FN3O/c12-8-1-2-9-10(7-8)16-14-11(9)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2
InChIKeyCPBRJIFWHROYKA-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.38
Rot. Bonds1

About 6-fluoro-3-piperazin-1-yl-1,2-benzoxazole

6-fluoro-3-piperazin-1-yl-1,2-benzoxazole (PubChem CID 19805377) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 6-fluoro-3-piperazin-1-yl-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-piperazin-1-yl-1,2-benzoxazole
PubChem CID19805377
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name6-fluoro-3-piperazin-1-yl-1,2-benzoxazole
SMILESFc1ccc2c(N3CCNCC3)noc2c1
InChIInChI=1S/C11H12FN3O/c12-8-1-2-9-10(7-8)16-14-11(9)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2
InChIKeyCPBRJIFWHROYKA-UHFFFAOYSA-N
XLogP1.38
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-piperazin-1-yl-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-piperazin-1-yl-1,2-benzoxazole (CID 19805377) is 6-fluoro-3-piperazin-1-yl-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-piperazin-1-yl-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-piperazin-1-yl-1,2-benzoxazole is Fc1ccc2c(N3CCNCC3)noc2c1.
What is the InChIKey of 6-fluoro-3-piperazin-1-yl-1,2-benzoxazole?
The InChIKey is CPBRJIFWHROYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-8-1-2-9-10(7-8)16-14-11(9)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2.
What are the key properties of 6-fluoro-3-piperazin-1-yl-1,2-benzoxazole?
6-fluoro-3-piperazin-1-yl-1,2-benzoxazole has a molecular weight of 221.23 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-piperazin-1-yl-1,2-benzoxazole is sourced from PubChem (CID 19805377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).