6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone

C12H17N3O3 — CID 90537022

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCC(O)CC1
InChIInChI=1S/C12H17N3O3/c16-9-2-5-14(6-3-9)11(17)10-8-13-15-4-1-7-18-12(10)15/h8-9,16H,1-7H2
InChIKeyZINNGCPOULOWGW-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.26
Rot. Bonds1

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 90537022) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone
PubChem CID90537022
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCC(O)CC1
InChIInChI=1S/C12H17N3O3/c16-9-2-5-14(6-3-9)11(17)10-8-13-15-4-1-7-18-12(10)15/h8-9,16H,1-7H2
InChIKeyZINNGCPOULOWGW-UHFFFAOYSA-N
XLogP0.26
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone (CID 90537022) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cnn2c1OCCC2)N1CCC(O)CC1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is ZINNGCPOULOWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-9-2-5-14(6-3-9)11(17)10-8-13-15-4-1-7-18-12(10)15/h8-9,16H,1-7H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 251.29 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 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-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 90537022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).