3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one

C10H16N2O2 — CID 130471138

IUPAC3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
SMILESCC(C)(C)c1c2n([nH]c1=O)CCOC2
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8-7-6-14-5-4-12(7)11-9(8)13/h4-6H2,1-3H3,(H,11,13)
InChIKeyUBBORJFBEGAHOF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.00
Rot. Bonds

About 3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one

3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one (PubChem CID 130471138) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
PubChem CID130471138
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
SMILESCC(C)(C)c1c2n([nH]c1=O)CCOC2
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8-7-6-14-5-4-12(7)11-9(8)13/h4-6H2,1-3H3,(H,11,13)
InChIKeyUBBORJFBEGAHOF-UHFFFAOYSA-N
XLogP1.00
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
CID 130470998
3-Ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
CID 131980242
1-Ethyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105433733

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
The IUPAC name of 3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one (CID 130471138) is 3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one.
What is the SMILES notation for 3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
The canonical SMILES for 3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one is CC(C)(C)c1c2n([nH]c1=O)CCOC2.
What is the InChIKey of 3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
The InChIKey is UBBORJFBEGAHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)8-7-6-14-5-4-12(7)11-9(8)13/h4-6H2,1-3H3,(H,11,13).
What are the key properties of 3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one is sourced from PubChem (CID 130471138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).