[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine

C15H15N3O2 — CID 116882744

IUPAC[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
SMILESNCC1(c2ncc(-c3coc4ccccc34)[nH]2)COC1
InChIInChI=1S/C15H15N3O2/c16-7-15(8-19-9-15)14-17-5-12(18-14)11-6-20-13-4-2-1-3-10(11)13/h1-6H,7-9,16H2,(H,17,18)
InChIKeyCTRCCVKSFKVWDF-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.05
Rot. Bonds3

About [3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine

[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine (PubChem CID 116882744) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is [3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
PubChem CID116882744
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
SMILESNCC1(c2ncc(-c3coc4ccccc34)[nH]2)COC1
InChIInChI=1S/C15H15N3O2/c16-7-15(8-19-9-15)14-17-5-12(18-14)11-6-20-13-4-2-1-3-10(11)13/h1-6H,7-9,16H2,(H,17,18)
InChIKeyCTRCCVKSFKVWDF-UHFFFAOYSA-N
XLogP2.05
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine (CID 116882744) is [3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine is NCC1(c2ncc(-c3coc4ccccc34)[nH]2)COC1.
What is the InChIKey of [3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
The InChIKey is CTRCCVKSFKVWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-7-15(8-19-9-15)14-17-5-12(18-14)11-6-20-13-4-2-1-3-10(11)13/h1-6H,7-9,16H2,(H,17,18).
What are the key properties of [3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine has a molecular weight of 269.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine is sourced from PubChem (CID 116882744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).