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

C12H17N3O2 — CID 71789424

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCCCC1
InChIInChI=1S/C12H17N3O2/c16-11(14-5-2-1-3-6-14)10-9-13-15-7-4-8-17-12(10)15/h9H,1-8H2
InChIKeyWEJJHTUGWGJYGL-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.29
Rot. Bonds1

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone (PubChem CID 71789424) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone
PubChem CID71789424
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCCCC1
InChIInChI=1S/C12H17N3O2/c16-11(14-5-2-1-3-6-14)10-9-13-15-7-4-8-17-12(10)15/h9H,1-8H2
InChIKeyWEJJHTUGWGJYGL-UHFFFAOYSA-N
XLogP1.29
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone (CID 71789424) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone is O=C(c1cnn2c1OCCC2)N1CCCCC1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone?
The InChIKey is WEJJHTUGWGJYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11(14-5-2-1-3-6-14)10-9-13-15-7-4-8-17-12(10)15/h9H,1-8H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 71789424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).