(3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

C16H23N5O2 — CID 58088069

IUPAC(3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESCC(C)Oc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
InChIInChI=1S/C16H23N5O2/c1-11(2)22-14-7-13(18-10-19-14)20-15-17-8-16(23-15)9-21-5-3-12(16)4-6-21/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,18,19,20)/t16-/m0/s1
InChIKeyWLYKLHKTDTYDLH-INIZCTEOSA-N
MW317.39 g/mol
LogP1.53
Rot. Bonds3

About (3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

(3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 58088069) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID58088069
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESCC(C)Oc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
InChIInChI=1S/C16H23N5O2/c1-11(2)22-14-7-13(18-10-19-14)20-15-17-8-16(23-15)9-21-5-3-12(16)4-6-21/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,18,19,20)/t16-/m0/s1
InChIKeyWLYKLHKTDTYDLH-INIZCTEOSA-N
XLogP1.53
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (CID 58088069) is (3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is CC(C)Oc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1.
What is the InChIKey of (3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is WLYKLHKTDTYDLH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11(2)22-14-7-13(18-10-19-14)20-15-17-8-16(23-15)9-21-5-3-12(16)4-6-21/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,18,19,20)/t16-/m0/s1.
What are the key properties of (3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
(3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 317.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-propan-2-yloxypyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58088069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).