1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride

C16H18ClN3O2 — CID 69434311

IUPAC1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1ncc(-c2ccccc2)o1)N1CCN2CCC1C2
InChIInChI=1S/C16H17N3O2.ClH/c20-16(19-9-8-18-7-6-13(19)11-18)15-17-10-14(21-15)12-4-2-1-3-5-12;/h1-5,10,13H,6-9,11H2;1H
InChIKeyZLSKRDYRWRJPKZ-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.29
Rot. Bonds2

About 1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride

1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride (PubChem CID 69434311) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride
PubChem CID69434311
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1ncc(-c2ccccc2)o1)N1CCN2CCC1C2
InChIInChI=1S/C16H17N3O2.ClH/c20-16(19-9-8-18-7-6-13(19)11-18)15-17-10-14(21-15)12-4-2-1-3-5-12;/h1-5,10,13H,6-9,11H2;1H
InChIKeyZLSKRDYRWRJPKZ-UHFFFAOYSA-N
XLogP2.29
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride 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 1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride?
The IUPAC name of 1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride (CID 69434311) is 1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride.
What is the SMILES notation for 1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride?
The canonical SMILES for 1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride is Cl.O=C(c1ncc(-c2ccccc2)o1)N1CCN2CCC1C2.
What is the InChIKey of 1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride?
The InChIKey is ZLSKRDYRWRJPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2.ClH/c20-16(19-9-8-18-7-6-13(19)11-18)15-17-10-14(21-15)12-4-2-1-3-5-12;/h1-5,10,13H,6-9,11H2;1H.
What are the key properties of 1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride?
1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride has a molecular weight of 319.79 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride is sourced from PubChem (CID 69434311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).