3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone

C17H18N2O3 — CID 171948528

IUPAC3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccno2)cc1)C1CC2COCC(C1)N2
InChIInChI=1S/C17H18N2O3/c20-17(13-7-14-9-21-10-15(8-13)19-14)12-3-1-11(2-4-12)16-5-6-18-22-16/h1-6,13-15,19H,7-10H2
InChIKeyWLYASPRLQQMXFT-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.29
Rot. Bonds3

About 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone

3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone (PubChem CID 171948528) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone
PubChem CID171948528
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccno2)cc1)C1CC2COCC(C1)N2
InChIInChI=1S/C17H18N2O3/c20-17(13-7-14-9-21-10-15(8-13)19-14)12-3-1-11(2-4-12)16-5-6-18-22-16/h1-6,13-15,19H,7-10H2
InChIKeyWLYASPRLQQMXFT-UHFFFAOYSA-N
XLogP2.29
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]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-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone?
The IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone (CID 171948528) is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone.
What is the SMILES notation for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone?
The canonical SMILES for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2ccno2)cc1)C1CC2COCC(C1)N2.
What is the InChIKey of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone?
The InChIKey is WLYASPRLQQMXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-17(13-7-14-9-21-10-15(8-13)19-14)12-3-1-11(2-4-12)16-5-6-18-22-16/h1-6,13-15,19H,7-10H2.
What are the key properties of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone?
3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone has a molecular weight of 298.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone is sourced from PubChem (CID 171948528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).