2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole

C13H14N2O2 — CID 155913855

IUPAC2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole
SMILESc1coc(-c2nccn2[C@@H]2C[C@H]3OCC[C@@H]23)c1
InChIInChI=1S/C13H14N2O2/c1-2-11(16-6-1)13-14-4-5-15(13)10-8-12-9(10)3-7-17-12/h1-2,4-6,9-10,12H,3,7-8H2/t9-,10+,12+/m0/s1
InChIKeyCNTCNEYBMXSKEN-HOSYDEDBSA-N
MW230.27 g/mol
LogP2.49
Rot. Bonds2

About 2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole

2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole (PubChem CID 155913855) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole
PubChem CID155913855
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole
SMILESc1coc(-c2nccn2[C@@H]2C[C@H]3OCC[C@@H]23)c1
InChIInChI=1S/C13H14N2O2/c1-2-11(16-6-1)13-14-4-5-15(13)10-8-12-9(10)3-7-17-12/h1-2,4-6,9-10,12H,3,7-8H2/t9-,10+,12+/m0/s1
InChIKeyCNTCNEYBMXSKEN-HOSYDEDBSA-N
XLogP2.49
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole?
The IUPAC name of 2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole (CID 155913855) is 2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole.
What is the SMILES notation for 2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole?
The canonical SMILES for 2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole is c1coc(-c2nccn2[C@@H]2C[C@H]3OCC[C@@H]23)c1.
What is the InChIKey of 2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole?
The InChIKey is CNTCNEYBMXSKEN-HOSYDEDBSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-11(16-6-1)13-14-4-5-15(13)10-8-12-9(10)3-7-17-12/h1-2,4-6,9-10,12H,3,7-8H2/t9-,10+,12+/m0/s1.
What are the key properties of 2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole?
2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole has a molecular weight of 230.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole is sourced from PubChem (CID 155913855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).