N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C11H14N4O3 — CID 71789391

IUPACN-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C1CC(NC(=O)c2cc3n(n2)CCCO3)CN1
InChIInChI=1S/C11H14N4O3/c16-9-4-7(6-12-9)13-11(17)8-5-10-15(14-8)2-1-3-18-10/h5,7H,1-4,6H2,(H,12,16)(H,13,17)
InChIKeyPCICQSKXAQJKSI-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.72
Rot. Bonds2

About N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 71789391) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID71789391
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C1CC(NC(=O)c2cc3n(n2)CCCO3)CN1
InChIInChI=1S/C11H14N4O3/c16-9-4-7(6-12-9)13-11(17)8-5-10-15(14-8)2-1-3-18-10/h5,7H,1-4,6H2,(H,12,16)(H,13,17)
InChIKeyPCICQSKXAQJKSI-UHFFFAOYSA-N
XLogP-0.72
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 71789391) is N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C1CC(NC(=O)c2cc3n(n2)CCCO3)CN1.
What is the InChIKey of N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is PCICQSKXAQJKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-9-4-7(6-12-9)13-11(17)8-5-10-15(14-8)2-1-3-18-10/h5,7H,1-4,6H2,(H,12,16)(H,13,17).
What are the key properties of N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 71789391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).