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

C19H20FN5O — CID 59286601

IUPAC(3R)-N-[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESFc1ccc(-c2ccnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c2)cn1
InChIInChI=1S/C19H20FN5O/c20-16-2-1-14(10-22-16)13-3-6-21-17(9-13)24-18-23-11-19(26-18)12-25-7-4-15(19)5-8-25/h1-3,6,9-10,15H,4-5,7-8,11-12H2,(H,21,23,24)/t19-/m0/s1
InChIKeyNWECLLFAHQFRJU-IBGZPJMESA-N
MW353.40 g/mol
LogP2.55
Rot. Bonds2

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

(3R)-N-[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 59286601) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is (3R)-N-[4-(6-fluoro-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-(6-fluoro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID59286601
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name(3R)-N-[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESFc1ccc(-c2ccnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c2)cn1
InChIInChI=1S/C19H20FN5O/c20-16-2-1-14(10-22-16)13-3-6-21-17(9-13)24-18-23-11-19(26-18)12-25-7-4-15(19)5-8-25/h1-3,6,9-10,15H,4-5,7-8,11-12H2,(H,21,23,24)/t19-/m0/s1
InChIKeyNWECLLFAHQFRJU-IBGZPJMESA-N
XLogP2.55
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(6-fluoro-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-(6-fluoro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (CID 59286601) is (3R)-N-[4-(6-fluoro-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-(6-fluoro-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-(6-fluoro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is Fc1ccc(-c2ccnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c2)cn1.
What is the InChIKey of (3R)-N-[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is NWECLLFAHQFRJU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20FN5O/c20-16-2-1-14(10-22-16)13-3-6-21-17(9-13)24-18-23-11-19(26-18)12-25-7-4-15(19)5-8-25/h1-3,6,9-10,15H,4-5,7-8,11-12H2,(H,21,23,24)/t19-/m0/s1.
What are the key properties of (3R)-N-[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
(3R)-N-[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 353.40 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 59286601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).