4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one

C11H14N4O3 — CID 71789471

IUPAC4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cnn3c2OCCC3)CCN1
InChIInChI=1S/C11H14N4O3/c16-9-7-14(4-2-12-9)10(17)8-6-13-15-3-1-5-18-11(8)15/h6H,1-5,7H2,(H,12,16)
InChIKeyMRJSIOIMGYVILJ-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.76
Rot. Bonds1

About 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one

4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one (PubChem CID 71789471) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one
PubChem CID71789471
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cnn3c2OCCC3)CCN1
InChIInChI=1S/C11H14N4O3/c16-9-7-14(4-2-12-9)10(17)8-6-13-15-3-1-5-18-11(8)15/h6H,1-5,7H2,(H,12,16)
InChIKeyMRJSIOIMGYVILJ-UHFFFAOYSA-N
XLogP-0.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one?
The IUPAC name of 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one (CID 71789471) is 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2cnn3c2OCCC3)CCN1.
What is the InChIKey of 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one?
The InChIKey is MRJSIOIMGYVILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-9-7-14(4-2-12-9)10(17)8-6-13-15-3-1-5-18-11(8)15/h6H,1-5,7H2,(H,12,16).
What are the key properties of 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one?
4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one has a molecular weight of 250.26 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 71789471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).