N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide

C11H15F3N4O2 — CID 146613140

IUPACN-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCN(C)c1cnn2c1OCC(CNC(=O)C(F)(F)F)C2
InChIInChI=1S/C11H15F3N4O2/c1-17(2)8-4-16-18-5-7(6-20-9(8)18)3-15-10(19)11(12,13)14/h4,7H,3,5-6H2,1-2H3,(H,15,19)
InChIKeyPHLLDGGPFSMEJK-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.64
Rot. Bonds3

About N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide

N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 146613140) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID146613140
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCN(C)c1cnn2c1OCC(CNC(=O)C(F)(F)F)C2
InChIInChI=1S/C11H15F3N4O2/c1-17(2)8-4-16-18-5-7(6-20-9(8)18)3-15-10(19)11(12,13)14/h4,7H,3,5-6H2,1-2H3,(H,15,19)
InChIKeyPHLLDGGPFSMEJK-UHFFFAOYSA-N
XLogP0.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide (CID 146613140) is N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide is CN(C)c1cnn2c1OCC(CNC(=O)C(F)(F)F)C2.
What is the InChIKey of N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is PHLLDGGPFSMEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-17(2)8-4-16-18-5-7(6-20-9(8)18)3-15-10(19)11(12,13)14/h4,7H,3,5-6H2,1-2H3,(H,15,19).
What are the key properties of N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 292.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 146613140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).