2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole

C17H15N3O2 — CID 56864565

IUPAC2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole
SMILESCCc1ccc(-c2nccn2Cc2nc3ccccc3o2)o1
InChIInChI=1S/C17H15N3O2/c1-2-12-7-8-15(21-12)17-18-9-10-20(17)11-16-19-13-5-3-4-6-14(13)22-16/h3-10H,2,11H2,1H3
InChIKeyBIVINJPQRSAZNE-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.89
Rot. Bonds4

About 2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole

2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole (PubChem CID 56864565) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole
PubChem CID56864565
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole
SMILESCCc1ccc(-c2nccn2Cc2nc3ccccc3o2)o1
InChIInChI=1S/C17H15N3O2/c1-2-12-7-8-15(21-12)17-18-9-10-20(17)11-16-19-13-5-3-4-6-14(13)22-16/h3-10H,2,11H2,1H3
InChIKeyBIVINJPQRSAZNE-UHFFFAOYSA-N
XLogP3.89
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole?
The IUPAC name of 2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole (CID 56864565) is 2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole is CCc1ccc(-c2nccn2Cc2nc3ccccc3o2)o1.
What is the InChIKey of 2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole?
The InChIKey is BIVINJPQRSAZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-12-7-8-15(21-12)17-18-9-10-20(17)11-16-19-13-5-3-4-6-14(13)22-16/h3-10H,2,11H2,1H3.
What are the key properties of 2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole?
2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole has a molecular weight of 293.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole is sourced from PubChem (CID 56864565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).