3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole

C15H20N2O — CID 121184277

IUPAC3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
SMILESC1Cc2onc(CN3CCC(=C4CC4)CC3)c2C1
InChIInChI=1S/C15H20N2O/c1-2-13-14(16-18-15(13)3-1)10-17-8-6-12(7-9-17)11-4-5-11/h1-10H2
InChIKeyZYBIWLIBCVKPSM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.85
Rot. Bonds2

About 3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole

3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole (PubChem CID 121184277) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole.

Molecular Properties

Compound Name3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
PubChem CID121184277
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
SMILESC1Cc2onc(CN3CCC(=C4CC4)CC3)c2C1
InChIInChI=1S/C15H20N2O/c1-2-13-14(16-18-15(13)3-1)10-17-8-6-12(7-9-17)11-4-5-11/h1-10H2
InChIKeyZYBIWLIBCVKPSM-UHFFFAOYSA-N
XLogP2.85
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole 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-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole?
The IUPAC name of 3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole (CID 121184277) is 3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole.
What is the SMILES notation for 3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole?
The canonical SMILES for 3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole is C1Cc2onc(CN3CCC(=C4CC4)CC3)c2C1.
What is the InChIKey of 3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole?
The InChIKey is ZYBIWLIBCVKPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-13-14(16-18-15(13)3-1)10-17-8-6-12(7-9-17)11-4-5-11/h1-10H2.
What are the key properties of 3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole?
3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole has a molecular weight of 244.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole is sourced from PubChem (CID 121184277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).