N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine

C22H23ClN6O — CID 70822963

IUPACN-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESClc1ccccc1-c1nc2occn2c1C1=CC=NC(NC2CN3CCC2CC3)N1
InChIInChI=1S/C22H23ClN6O/c23-16-4-2-1-3-15(16)19-20(29-11-12-30-22(29)27-19)17-5-8-24-21(25-17)26-18-13-28-9-6-14(18)7-10-28/h1-5,8,11-12,14,18,21,25-26H,6-7,9-10,13H2
InChIKeyNLQIDNZYLWAVRN-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.23
Rot. Bonds4

About N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine

N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 70822963) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID70822963
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC NameN-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESClc1ccccc1-c1nc2occn2c1C1=CC=NC(NC2CN3CCC2CC3)N1
InChIInChI=1S/C22H23ClN6O/c23-16-4-2-1-3-15(16)19-20(29-11-12-30-22(29)27-19)17-5-8-24-21(25-17)26-18-13-28-9-6-14(18)7-10-28/h1-5,8,11-12,14,18,21,25-26H,6-7,9-10,13H2
InChIKeyNLQIDNZYLWAVRN-UHFFFAOYSA-N
XLogP3.23
TPSA70.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-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 N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine (CID 70822963) is N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine is Clc1ccccc1-c1nc2occn2c1C1=CC=NC(NC2CN3CCC2CC3)N1.
What is the InChIKey of N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is NLQIDNZYLWAVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O/c23-16-4-2-1-3-15(16)19-20(29-11-12-30-22(29)27-19)17-5-8-24-21(25-17)26-18-13-28-9-6-14(18)7-10-28/h1-5,8,11-12,14,18,21,25-26H,6-7,9-10,13H2.
What are the key properties of N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 422.92 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 70822963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).