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

C15H18N2O2 — CID 66361354

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

1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 66361354) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
• PubChem CID: 66361354
• Molecular Formula: C15H18N2O2
• Molecular Weight: 258.32 g/mol
• Exact Mass: 258.14
• IUPAC Name: 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
• SMILES: Cc1ccc2c(c1)CC(CNCc1cc(C)no1)O2
• InChI: InChI=1S/C15H18N2O2/c1-10-3-4-15-12(5-10)7-13(18-15)8-16-9-14-6-11(2)17-19-14/h3-6,13,16H,7-9H2,1-2H3
• InChIKey: PICRKUOGQZTMQR-UHFFFAOYSA-N
• XLogP: 2.38
• 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	258.32
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (CID 66361354) is 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.

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

The canonical SMILES for 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is Cc1ccc2c(c1)CC(CNCc1cc(C)no1)O2.

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

The InChIKey is PICRKUOGQZTMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-3-4-15-12(5-10)7-13(18-15)8-16-9-14-6-11(2)17-19-14/h3-6,13,16H,7-9H2,1-2H3.

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

1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 66361354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).