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

C20H22N4O — CID 134132108

IUPAC(3R)-N-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESc1ccc(-c2ccc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc2)cc1
InChIInChI=1S/C20H22N4O/c1-2-4-15(5-3-1)16-6-7-18(21-12-16)23-19-22-13-20(25-19)14-24-10-8-17(20)9-11-24/h1-7,12,17H,8-11,13-14H2,(H,21,22,23)/t20-/m0/s1
InChIKeyQVNDRAXBTKXDOH-FQEVSTJZSA-N
MW334.42 g/mol
LogP3.01
Rot. Bonds2

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

(3R)-N-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 134132108) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (3R)-N-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R)-N-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID134132108
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(3R)-N-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESc1ccc(-c2ccc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc2)cc1
InChIInChI=1S/C20H22N4O/c1-2-4-15(5-3-1)16-6-7-18(21-12-16)23-19-22-13-20(25-19)14-24-10-8-17(20)9-11-24/h1-7,12,17H,8-11,13-14H2,(H,21,22,23)/t20-/m0/s1
InChIKeyQVNDRAXBTKXDOH-FQEVSTJZSA-N
XLogP3.01
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R)-N-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (CID 134132108) is (3R)-N-(5-phenyl-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-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R)-N-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is c1ccc(-c2ccc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc2)cc1.
What is the InChIKey of (3R)-N-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is QVNDRAXBTKXDOH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-4-15(5-3-1)16-6-7-18(21-12-16)23-19-22-13-20(25-19)14-24-10-8-17(20)9-11-24/h1-7,12,17H,8-11,13-14H2,(H,21,22,23)/t20-/m0/s1.
What are the key properties of (3R)-N-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
(3R)-N-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 334.42 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-phenyl-2-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 134132108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).