5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one

C13H15FN2O3 — CID 112594323

About 5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 112594323) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one
• PubChem CID: 112594323
• Molecular Formula: C13H15FN2O3
• Molecular Weight: 266.27 g/mol
• Exact Mass: 266.11
• IUPAC Name: 5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one
• SMILES: NCC1CN(CC2Cc3cc(F)ccc3O2)C(=O)O1
• InChI: InChI=1S/C13H15FN2O3/c14-9-1-2-12-8(3-9)4-10(18-12)6-16-7-11(5-15)19-13(16)17/h1-3,10-11H,4-7,15H2
• InChIKey: UGYPNHVNBIKUJK-UHFFFAOYSA-N
• XLogP: 0.91
• TPSA: 64.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.27
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one?

The IUPAC name of 5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one (CID 112594323) is 5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one is NCC1CN(CC2Cc3cc(F)ccc3O2)C(=O)O1.

What is the InChIKey of 5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one?

The InChIKey is UGYPNHVNBIKUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-9-1-2-12-8(3-9)4-10(18-12)6-16-7-11(5-15)19-13(16)17/h1-3,10-11H,4-7,15H2.

What are the key properties of 5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one?

5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 266.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 112594323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).