5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole

C11H11F2N3O — CID 82231812

IUPAC5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole
SMILESFc1cc(F)c2oc(N3CCNCC3)nc2c1
InChIInChI=1S/C11H11F2N3O/c12-7-5-8(13)10-9(6-7)15-11(17-10)16-3-1-14-2-4-16/h5-6,14H,1-4H2
InChIKeyZDHMPLXSVNMTDF-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.52
Rot. Bonds1

About 5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole

5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole (PubChem CID 82231812) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is 5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole
PubChem CID82231812
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole
SMILESFc1cc(F)c2oc(N3CCNCC3)nc2c1
InChIInChI=1S/C11H11F2N3O/c12-7-5-8(13)10-9(6-7)15-11(17-10)16-3-1-14-2-4-16/h5-6,14H,1-4H2
InChIKeyZDHMPLXSVNMTDF-UHFFFAOYSA-N
XLogP1.52
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole?
The IUPAC name of 5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole (CID 82231812) is 5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole?
The canonical SMILES for 5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole is Fc1cc(F)c2oc(N3CCNCC3)nc2c1.
What is the InChIKey of 5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole?
The InChIKey is ZDHMPLXSVNMTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-7-5-8(13)10-9(6-7)15-11(17-10)16-3-1-14-2-4-16/h5-6,14H,1-4H2.
What are the key properties of 5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole?
5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole has a molecular weight of 239.22 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 82231812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).