5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C8H8N4O5 — CID 107427567

About 5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427567) has the molecular formula C8H8N4O5 and a molecular weight of 240.17 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
• PubChem CID: 107427567
• Molecular Formula: C8H8N4O5
• Molecular Weight: 240.17 g/mol
• Exact Mass: 240.05
• IUPAC Name: 5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
• SMILES: Cc1nnc(NC(=O)C2CC(C(=O)O)=NO2)o1
• InChI: InChI=1S/C8H8N4O5/c1-3-10-11-8(16-3)9-6(13)5-2-4(7(14)15)12-17-5/h5H,2H2,1H3,(H,14,15)(H,9,11,13)
• InChIKey: ARTWLXPWYQJACS-UHFFFAOYSA-N
• XLogP: -0.45
• TPSA: 126.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.17
LogP ≤ 5	-0.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

The IUPAC name of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427567) is 5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

What is the SMILES notation for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

The canonical SMILES for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is Cc1nnc(NC(=O)C2CC(C(=O)O)=NO2)o1.

What is the InChIKey of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

The InChIKey is ARTWLXPWYQJACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O5/c1-3-10-11-8(16-3)9-6(13)5-2-4(7(14)15)12-17-5/h5H,2H2,1H3,(H,14,15)(H,9,11,13).

What are the key properties of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 240.17 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).