(3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

C19H20ClN5O — CID 59286675

IUPAC(3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESClc1cncc(-c2ccnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c2)c1
InChIInChI=1S/C19H20ClN5O/c20-16-7-14(9-21-10-16)13-1-4-22-17(8-13)24-18-23-11-19(26-18)12-25-5-2-15(19)3-6-25/h1,4,7-10,15H,2-3,5-6,11-12H2,(H,22,23,24)/t19-/m0/s1
InChIKeyWWKKBRJCWMRNIZ-IBGZPJMESA-N
MW369.86 g/mol
LogP3.06
Rot. Bonds2

About (3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

(3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 59286675) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is (3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID59286675
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name(3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESClc1cncc(-c2ccnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c2)c1
InChIInChI=1S/C19H20ClN5O/c20-16-7-14(9-21-10-16)13-1-4-22-17(8-13)24-18-23-11-19(26-18)12-25-5-2-15(19)3-6-25/h1,4,7-10,15H,2-3,5-6,11-12H2,(H,22,23,24)/t19-/m0/s1
InChIKeyWWKKBRJCWMRNIZ-IBGZPJMESA-N
XLogP3.06
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (CID 59286675) is (3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is Clc1cncc(-c2ccnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c2)c1.
What is the InChIKey of (3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is WWKKBRJCWMRNIZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-16-7-14(9-21-10-16)13-1-4-22-17(8-13)24-18-23-11-19(26-18)12-25-5-2-15(19)3-6-25/h1,4,7-10,15H,2-3,5-6,11-12H2,(H,22,23,24)/t19-/m0/s1.
What are the key properties of (3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
(3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 369.86 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 59286675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).