3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

C21H26N4O3 — CID 171359166

IUPAC3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1CC2CCC(C1)NC2
InChIInChI=1S/C21H26N4O3/c26-21(25-13-15-6-7-17(14-25)22-12-15)18-19(16-4-2-1-3-5-16)28-23-20(18)24-8-10-27-11-9-24/h1-5,15,17,22H,6-14H2
InChIKeyVQUALGSTZNALJO-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.00
Rot. Bonds3

About 3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 171359166) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID171359166
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1CC2CCC(C1)NC2
InChIInChI=1S/C21H26N4O3/c26-21(25-13-15-6-7-17(14-25)22-12-15)18-19(16-4-2-1-3-5-16)28-23-20(18)24-8-10-27-11-9-24/h1-5,15,17,22H,6-14H2
InChIKeyVQUALGSTZNALJO-UHFFFAOYSA-N
XLogP2.00
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone 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 3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of 3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone (CID 171359166) is 3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for 3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for 3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone is O=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1CC2CCC(C1)NC2.
What is the InChIKey of 3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is VQUALGSTZNALJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-21(25-13-15-6-7-17(14-25)22-12-15)18-19(16-4-2-1-3-5-16)28-23-20(18)24-8-10-27-11-9-24/h1-5,15,17,22H,6-14H2.
What are the key properties of 3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone?
3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 382.46 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diazabicyclo[3.2.2]nonan-3-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 171359166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).