5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one

C15H18N2O4 — CID 91357095

About 5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 91357095) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one
• PubChem CID: 91357095
• Molecular Formula: C15H18N2O4
• Molecular Weight: 290.32 g/mol
• Exact Mass: 290.13
• IUPAC Name: 5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one
• SMILES: NCC1CN(C2=COC=C(CC3=CC=CCC3)O2)C(=O)O1
• InChI: InChI=1S/C15H18N2O4/c16-7-13-8-17(15(18)21-13)14-10-19-9-12(20-14)6-11-4-2-1-3-5-11/h1-2,4,9-10,13H,3,5-8,16H2
• InChIKey: QZKXSAHCCXLOIG-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 74.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.32
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one (CID 91357095) is 5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one is NCC1CN(C2=COC=C(CC3=CC=CCC3)O2)C(=O)O1.

What is the InChIKey of 5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one?

The InChIKey is QZKXSAHCCXLOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c16-7-13-8-17(15(18)21-13)14-10-19-9-12(20-14)6-11-4-2-1-3-5-11/h1-2,4,9-10,13H,3,5-8,16H2.

What are the key properties of 5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one?

5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 290.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 91357095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).