6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone

C16H18FN5O3 — CID 122258548

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C16H18FN5O3/c17-11-8-18-16(19-9-11)25-12-3-1-4-21(10-12)15(23)13-7-14-22(20-13)5-2-6-24-14/h7-9,12H,1-6,10H2
InChIKeyRAZOAALTXWFDJJ-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.28
Rot. Bonds3

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 122258548) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID122258548
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C16H18FN5O3/c17-11-8-18-16(19-9-11)25-12-3-1-4-21(10-12)15(23)13-7-14-22(20-13)5-2-6-24-14/h7-9,12H,1-6,10H2
InChIKeyRAZOAALTXWFDJJ-UHFFFAOYSA-N
XLogP1.28
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone (CID 122258548) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone is O=C(c1cc2n(n1)CCCO2)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is RAZOAALTXWFDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3/c17-11-8-18-16(19-9-11)25-12-3-1-4-21(10-12)15(23)13-7-14-22(20-13)5-2-6-24-14/h7-9,12H,1-6,10H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 347.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122258548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).