6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine

C10H11F2N5O — CID 178072637

IUPAC6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine
SMILESNc1noc2nc(N3CCC(F)(F)CC3)cnc12
InChIInChI=1S/C10H11F2N5O/c11-10(12)1-3-17(4-2-10)6-5-14-7-8(13)16-18-9(7)15-6/h5H,1-4H2,(H2,13,16)
InChIKeyKKCKLPJKYTZKCR-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.44
Rot. Bonds1

About 6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine

6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine (PubChem CID 178072637) has the molecular formula C10H11F2N5O and a molecular weight of 255.23 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine
PubChem CID178072637
Molecular FormulaC10H11F2N5O
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine
SMILESNc1noc2nc(N3CCC(F)(F)CC3)cnc12
InChIInChI=1S/C10H11F2N5O/c11-10(12)1-3-17(4-2-10)6-5-14-7-8(13)16-18-9(7)15-6/h5H,1-4H2,(H2,13,16)
InChIKeyKKCKLPJKYTZKCR-UHFFFAOYSA-N
XLogP1.44
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine (CID 178072637) is 6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine is Nc1noc2nc(N3CCC(F)(F)CC3)cnc12.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine?
The InChIKey is KKCKLPJKYTZKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5O/c11-10(12)1-3-17(4-2-10)6-5-14-7-8(13)16-18-9(7)15-6/h5H,1-4H2,(H2,13,16).
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine?
6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine has a molecular weight of 255.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine is sourced from PubChem (CID 178072637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).