5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C12H10F2N2O4 — CID 107427428

About 5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427428) has the molecular formula C12H10F2N2O4 and a molecular weight of 284.22 g/mol. Its IUPAC name is 5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
• PubChem CID: 107427428
• Molecular Formula: C12H10F2N2O4
• Molecular Weight: 284.22 g/mol
• Exact Mass: 284.06
• IUPAC Name: 5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
• SMILES: Cc1ccc(F)c(NC(=O)C2CC(C(=O)O)=NO2)c1F
• InChI: InChI=1S/C12H10F2N2O4/c1-5-2-3-6(13)10(9(5)14)15-11(17)8-4-7(12(18)19)16-20-8/h2-3,8H,4H2,1H3,(H,15,17)(H,18,19)
• InChIKey: QEHNVOYREZEVND-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 87.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.22
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

The IUPAC name of 5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427428) is 5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

What is the SMILES notation for 5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

The canonical SMILES for 5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is Cc1ccc(F)c(NC(=O)C2CC(C(=O)O)=NO2)c1F.

What is the InChIKey of 5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

The InChIKey is QEHNVOYREZEVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O4/c1-5-2-3-6(13)10(9(5)14)15-11(17)8-4-7(12(18)19)16-20-8/h2-3,8H,4H2,1H3,(H,15,17)(H,18,19).

What are the key properties of 5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 284.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).