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Tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C16H24N4O4 — CID 152614592

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2ncc(N3CC(C)(C)OC3=O)c2C1
InChIInChI=1S/C16H24N4O4/c1-15(2,3)23-13(21)18-6-7-20-12(9-18)11(8-17-20)19-10-16(4,5)24-14(19)22/h8H,6-7,9-10H2,1-5H3
InChIKeyZAFWCVQRADOCTK-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.37
Rot. Bonds1

About Tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 152614592) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound NameTert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID152614592
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Nametert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2ncc(N3CC(C)(C)OC3=O)c2C1
InChIInChI=1S/C16H24N4O4/c1-15(2,3)23-13(21)18-6-7-20-12(9-18)11(8-17-20)19-10-16(4,5)24-14(19)22/h8H,6-7,9-10H2,1-5H3
InChIKeyZAFWCVQRADOCTK-UHFFFAOYSA-N
XLogP2.37
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of Tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 152614592) is tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for Tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for Tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1CCn2ncc(N3CC(C)(C)OC3=O)c2C1.
What is the InChIKey of Tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is ZAFWCVQRADOCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-15(2,3)23-13(21)18-6-7-20-12(9-18)11(8-17-20)19-10-16(4,5)24-14(19)22/h8H,6-7,9-10H2,1-5H3.
What are the key properties of Tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
Tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 152614592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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