6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine

C11H15F3N2O — CID 168750935

IUPAC6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1cnn2c1OCC(C)(C(F)(F)F)C2
InChIInChI=1S/C11H15F3N2O/c1-7(2)8-4-15-16-5-10(3,11(12,13)14)6-17-9(8)16/h4,7H,5-6H2,1-3H3
InChIKeySQOBOFRMJYKZER-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.97
Rot. Bonds1

About 6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine

6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (PubChem CID 168750935) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
PubChem CID168750935
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1cnn2c1OCC(C)(C(F)(F)F)C2
InChIInChI=1S/C11H15F3N2O/c1-7(2)8-4-15-16-5-10(3,11(12,13)14)6-17-9(8)16/h4,7H,5-6H2,1-3H3
InChIKeySQOBOFRMJYKZER-UHFFFAOYSA-N
XLogP2.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (CID 168750935) is 6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is CC(C)c1cnn2c1OCC(C)(C(F)(F)F)C2.
What is the InChIKey of 6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The InChIKey is SQOBOFRMJYKZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-7(2)8-4-15-16-5-10(3,11(12,13)14)6-17-9(8)16/h4,7H,5-6H2,1-3H3.
What are the key properties of 6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine has a molecular weight of 248.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 168750935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).