N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine

C16H19N5O — CID 72709673

IUPACN-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NC3=NCC4(CN5CCC4CC5)N3)nc2c1
InChIInChI=1S/C16H19N5O/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(20-14)10-21-7-5-11(16)6-8-21/h1-4,11H,5-10H2,(H2,17,18,19,20)
InChIKeyJXVLQADXUDLXHT-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.66
Rot. Bonds1

About N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine

N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine (PubChem CID 72709673) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine
PubChem CID72709673
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NC3=NCC4(CN5CCC4CC5)N3)nc2c1
InChIInChI=1S/C16H19N5O/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(20-14)10-21-7-5-11(16)6-8-21/h1-4,11H,5-10H2,(H2,17,18,19,20)
InChIKeyJXVLQADXUDLXHT-UHFFFAOYSA-N
XLogP1.66
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine (CID 72709673) is N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine is c1ccc2oc(NC3=NCC4(CN5CCC4CC5)N3)nc2c1.
What is the InChIKey of N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is JXVLQADXUDLXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(20-14)10-21-7-5-11(16)6-8-21/h1-4,11H,5-10H2,(H2,17,18,19,20).
What are the key properties of N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine?
N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 297.36 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 72709673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).