1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine

C14H24N4O — CID 158396646

IUPAC1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine
SMILESCNC1CN(C2COc3c(C(C)(C)C)cnn3C2)C1
InChIInChI=1S/C14H24N4O/c1-14(2,3)12-5-16-18-8-11(9-19-13(12)18)17-6-10(7-17)15-4/h5,10-11,15H,6-9H2,1-4H3
InChIKeyZCWZASPYSGDIKX-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.85
Rot. Bonds2

About 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine

1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine (PubChem CID 158396646) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine
PubChem CID158396646
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine
SMILESCNC1CN(C2COc3c(C(C)(C)C)cnn3C2)C1
InChIInChI=1S/C14H24N4O/c1-14(2,3)12-5-16-18-8-11(9-19-13(12)18)17-6-10(7-17)15-4/h5,10-11,15H,6-9H2,1-4H3
InChIKeyZCWZASPYSGDIKX-UHFFFAOYSA-N
XLogP0.85
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine?
The IUPAC name of 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine (CID 158396646) is 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine.
What is the SMILES notation for 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine?
The canonical SMILES for 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine is CNC1CN(C2COc3c(C(C)(C)C)cnn3C2)C1.
What is the InChIKey of 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine?
The InChIKey is ZCWZASPYSGDIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)12-5-16-18-8-11(9-19-13(12)18)17-6-10(7-17)15-4/h5,10-11,15H,6-9H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine?
1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine has a molecular weight of 264.37 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N-methylazetidin-3-amine is sourced from PubChem (CID 158396646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).