3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole

C14H18N2O — CID 121183500

IUPAC3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
SMILESC1=CC2CCC(C1)N2Cc1noc2c1CCC2
InChIInChI=1S/C14H18N2O/c1-3-10-7-8-11(4-1)16(10)9-13-12-5-2-6-14(12)17-15-13/h1,3,10-11H,2,4-9H2
InChIKeyJYCKLKGWZHCZGN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.46
Rot. Bonds2

About 3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole

3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole (PubChem CID 121183500) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
PubChem CID121183500
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
SMILESC1=CC2CCC(C1)N2Cc1noc2c1CCC2
InChIInChI=1S/C14H18N2O/c1-3-10-7-8-11(4-1)16(10)9-13-12-5-2-6-14(12)17-15-13/h1,3,10-11H,2,4-9H2
InChIKeyJYCKLKGWZHCZGN-UHFFFAOYSA-N
XLogP2.46
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole?
The IUPAC name of 3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole (CID 121183500) is 3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole is C1=CC2CCC(C1)N2Cc1noc2c1CCC2.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole?
The InChIKey is JYCKLKGWZHCZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-10-7-8-11(4-1)16(10)9-13-12-5-2-6-14(12)17-15-13/h1,3,10-11H,2,4-9H2.
What are the key properties of 3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole?
3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole has a molecular weight of 230.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole is sourced from PubChem (CID 121183500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).