(3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

C16H18N4O2 — CID 58088026

IUPAC(3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESc1cc2occc2c(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1
InChIInChI=1S/C16H18N4O2/c1-5-17-14(12-4-8-21-13(1)12)19-15-18-9-16(22-15)10-20-6-2-11(16)3-7-20/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,17,18,19)/t16-/m0/s1
InChIKeyIMMCHFLTBDORJH-INIZCTEOSA-N
MW298.35 g/mol
LogP2.09
Rot. Bonds1

About (3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

(3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 58088026) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID58088026
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESc1cc2occc2c(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1
InChIInChI=1S/C16H18N4O2/c1-5-17-14(12-4-8-21-13(1)12)19-15-18-9-16(22-15)10-20-6-2-11(16)3-7-20/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,17,18,19)/t16-/m0/s1
InChIKeyIMMCHFLTBDORJH-INIZCTEOSA-N
XLogP2.09
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (CID 58088026) is (3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is c1cc2occc2c(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1.
What is the InChIKey of (3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is IMMCHFLTBDORJH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-5-17-14(12-4-8-21-13(1)12)19-15-18-9-16(22-15)10-20-6-2-11(16)3-7-20/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,17,18,19)/t16-/m0/s1.
What are the key properties of (3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
(3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 298.35 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58088026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).