3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C14H19F2N5O2 — CID 66724722

IUPAC3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESNC1OC2(CN3CCC2CC3)CN1c1ncc(OC(F)F)cn1
InChIInChI=1S/C14H19F2N5O2/c15-11(16)22-10-5-18-13(19-6-10)21-8-14(23-12(21)17)7-20-3-1-9(14)2-4-20/h5-6,9,11-12H,1-4,7-8,17H2
InChIKeyCZZPBMMEXPCZDW-UHFFFAOYSA-N
MW327.33 g/mol
LogP0.62
Rot. Bonds3

About 3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 66724722) has the molecular formula C14H19F2N5O2 and a molecular weight of 327.33 g/mol. Its IUPAC name is 3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound Name3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID66724722
Molecular FormulaC14H19F2N5O2
Molecular Weight327.33 g/mol
Exact Mass327.15
IUPAC Name3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESNC1OC2(CN3CCC2CC3)CN1c1ncc(OC(F)F)cn1
InChIInChI=1S/C14H19F2N5O2/c15-11(16)22-10-5-18-13(19-6-10)21-8-14(23-12(21)17)7-20-3-1-9(14)2-4-20/h5-6,9,11-12H,1-4,7-8,17H2
InChIKeyCZZPBMMEXPCZDW-UHFFFAOYSA-N
XLogP0.62
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of 3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 66724722) is 3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for 3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for 3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is NC1OC2(CN3CCC2CC3)CN1c1ncc(OC(F)F)cn1.
What is the InChIKey of 3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is CZZPBMMEXPCZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O2/c15-11(16)22-10-5-18-13(19-6-10)21-8-14(23-12(21)17)7-20-3-1-9(14)2-4-20/h5-6,9,11-12H,1-4,7-8,17H2.
What are the key properties of 3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 327.33 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 66724722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).