2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid

C20H20N2O5 — CID 119221891

About 2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 119221891) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid
• PubChem CID: 119221891
• Molecular Formula: C20H20N2O5
• Molecular Weight: 368.39 g/mol
• Exact Mass: 368.14
• IUPAC Name: 2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid
• SMILES: Cc1oc(CN(C)C(=O)CCc2ncc(-c3ccccc3)o2)cc1C(=O)O
• InChI: InChI=1S/C20H20N2O5/c1-13-16(20(24)25)10-15(26-13)12-22(2)19(23)9-8-18-21-11-17(27-18)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,25)
• InChIKey: DDMVGVSPXAOMEX-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 96.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.39
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid?

The IUPAC name of 2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid (CID 119221891) is 2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid.

What is the SMILES notation for 2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid?

The canonical SMILES for 2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)CCc2ncc(-c3ccccc3)o2)cc1C(=O)O.

What is the InChIKey of 2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid?

The InChIKey is DDMVGVSPXAOMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-13-16(20(24)25)10-15(26-13)12-22(2)19(23)9-8-18-21-11-17(27-18)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,25).

What are the key properties of 2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid?

2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[[methyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119221891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).