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

C15H26N4O — CID 158396647

IUPAC1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N,N-dimethylazetidin-3-amine
SMILESCN(C)C1CN(C2COc3c(C(C)(C)C)cnn3C2)C1
InChIInChI=1S/C15H26N4O/c1-15(2,3)13-6-16-19-9-12(10-20-14(13)19)18-7-11(8-18)17(4)5/h6,11-12H,7-10H2,1-5H3
InChIKeyQDGLMSXJQFWADQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.19
Rot. Bonds2

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

1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N,N-dimethylazetidin-3-amine (PubChem CID 158396647) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N,N-dimethylazetidin-3-amine.

Molecular Properties

Compound Name1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N,N-dimethylazetidin-3-amine
PubChem CID158396647
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N,N-dimethylazetidin-3-amine
SMILESCN(C)C1CN(C2COc3c(C(C)(C)C)cnn3C2)C1
InChIInChI=1S/C15H26N4O/c1-15(2,3)13-6-16-19-9-12(10-20-14(13)19)18-7-11(8-18)17(4)5/h6,11-12H,7-10H2,1-5H3
InChIKeyQDGLMSXJQFWADQ-UHFFFAOYSA-N
XLogP1.19
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.19
H-Bond Donors ≤ 50
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,N-dimethylazetidin-3-amine?
The IUPAC name of 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N,N-dimethylazetidin-3-amine (CID 158396647) is 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N,N-dimethylazetidin-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,N-dimethylazetidin-3-amine?
The canonical SMILES for 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N,N-dimethylazetidin-3-amine is CN(C)C1CN(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,N-dimethylazetidin-3-amine?
The InChIKey is QDGLMSXJQFWADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,3)13-6-16-19-9-12(10-20-14(13)19)18-7-11(8-18)17(4)5/h6,11-12H,7-10H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N,N-dimethylazetidin-3-amine?
1-(3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)-N,N-dimethylazetidin-3-amine has a molecular weight of 278.40 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 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,N-dimethylazetidin-3-amine is sourced from PubChem (CID 158396647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).