2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

C13H22N2O — CID 153470345

IUPAC2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCc1c(C(C)(C)C)nn2c1COC(C)(C)C2
InChIInChI=1S/C13H22N2O/c1-9-10-7-16-13(5,6)8-15(10)14-11(9)12(2,3)4/h7-8H2,1-6H3
InChIKeyKUJSUFMJWAGGTP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.80
Rot. Bonds

About 2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (PubChem CID 153470345) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
PubChem CID153470345
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCc1c(C(C)(C)C)nn2c1COC(C)(C)C2
InChIInChI=1S/C13H22N2O/c1-9-10-7-16-13(5,6)8-15(10)14-11(9)12(2,3)4/h7-8H2,1-6H3
InChIKeyKUJSUFMJWAGGTP-UHFFFAOYSA-N
XLogP2.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (CID 153470345) is 2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is Cc1c(C(C)(C)C)nn2c1COC(C)(C)C2.
What is the InChIKey of 2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The InChIKey is KUJSUFMJWAGGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-10-7-16-13(5,6)8-15(10)14-11(9)12(2,3)4/h7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine has a molecular weight of 222.33 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,6,6-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 153470345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).