2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid

C16H18N4O5 — CID 74234775

About 2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid

2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid (PubChem CID 74234775) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid
• PubChem CID: 74234775
• Molecular Formula: C16H18N4O5
• Molecular Weight: 346.34 g/mol
• Exact Mass: 346.13
• IUPAC Name: 2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid
• SMILES: COc1ccccc1Cc1nc(CN2CCOC2=O)n(CC(=O)O)n1
• InChI: InChI=1S/C16H18N4O5/c1-24-12-5-3-2-4-11(12)8-13-17-14(20(18-13)10-15(21)22)9-19-6-7-25-16(19)23/h2-5H,6-10H2,1H3,(H,21,22)
• InChIKey: IJIVPYYWMXTYHZ-UHFFFAOYSA-N
• XLogP: 0.91
• TPSA: 106.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.34
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid?

The IUPAC name of 2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid (CID 74234775) is 2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid.

What is the SMILES notation for 2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid?

The canonical SMILES for 2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid is COc1ccccc1Cc1nc(CN2CCOC2=O)n(CC(=O)O)n1.

What is the InChIKey of 2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid?

The InChIKey is IJIVPYYWMXTYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-24-12-5-3-2-4-11(12)8-13-17-14(20(18-13)10-15(21)22)9-19-6-7-25-16(19)23/h2-5H,6-10H2,1H3,(H,21,22).

What are the key properties of 2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid?

2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid has a molecular weight of 346.34 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid is sourced from PubChem (CID 74234775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).