1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine

C14H15FN2O2 — CID 66364689

About 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine

1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine (PubChem CID 66364689) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
• PubChem CID: 66364689
• Molecular Formula: C14H15FN2O2
• Molecular Weight: 262.28 g/mol
• Exact Mass: 262.11
• IUPAC Name: 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
• SMILES: Cc1cc(CNCC2Cc3cc(F)ccc3O2)no1
• InChI: InChI=1S/C14H15FN2O2/c1-9-4-12(17-19-9)7-16-8-13-6-10-5-11(15)2-3-14(10)18-13/h2-5,13,16H,6-8H2,1H3
• InChIKey: MDOZOCMAVXQRSQ-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 47.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.28
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?

The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine (CID 66364689) is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine.

What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?

The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine is Cc1cc(CNCC2Cc3cc(F)ccc3O2)no1.

What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?

The InChIKey is MDOZOCMAVXQRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9-4-12(17-19-9)7-16-8-13-6-10-5-11(15)2-3-14(10)18-13/h2-5,13,16H,6-8H2,1H3.

What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?

1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine has a molecular weight of 262.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine is sourced from PubChem (CID 66364689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).