2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane

C15H15NO2 — CID 565046

IUPAC2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane
SMILESc1ccc(C2CC3CC(c4ccco4)N2O3)cc1
InChIInChI=1S/C15H15NO2/c1-2-5-11(6-3-1)13-9-12-10-14(16(13)18-12)15-7-4-8-17-15/h1-8,12-14H,9-10H2
InChIKeyBTDMDCMAYSCHMS-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.47
Rot. Bonds2

About 2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane

2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane (PubChem CID 565046) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane
PubChem CID565046
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane
SMILESc1ccc(C2CC3CC(c4ccco4)N2O3)cc1
InChIInChI=1S/C15H15NO2/c1-2-5-11(6-3-1)13-9-12-10-14(16(13)18-12)15-7-4-8-17-15/h1-8,12-14H,9-10H2
InChIKeyBTDMDCMAYSCHMS-UHFFFAOYSA-N
XLogP3.47
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane (CID 565046) is 2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane is c1ccc(C2CC3CC(c4ccco4)N2O3)cc1.
What is the InChIKey of 2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane?
The InChIKey is BTDMDCMAYSCHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-5-11(6-3-1)13-9-12-10-14(16(13)18-12)15-7-4-8-17-15/h1-8,12-14H,9-10H2.
What are the key properties of 2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane?
2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane has a molecular weight of 241.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-phenyl-7-oxa-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 565046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).