5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H17N3O4 — CID 107427121

About 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427121) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
• PubChem CID: 107427121
• Molecular Formula: C10H17N3O4
• Molecular Weight: 243.26 g/mol
• Exact Mass: 243.12
• IUPAC Name: 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
• SMILES: CCN(C)CCNC(=O)C1CC(C(=O)O)=NO1
• InChI: InChI=1S/C10H17N3O4/c1-3-13(2)5-4-11-9(14)8-6-7(10(15)16)12-17-8/h8H,3-6H2,1-2H3,(H,11,14)(H,15,16)
• InChIKey: VSFRBPITFWCGHF-UHFFFAOYSA-N
• XLogP: -0.72
• TPSA: 91.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.26
LogP ≤ 5	-0.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

The IUPAC name of 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427121) is 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

What is the SMILES notation for 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

The canonical SMILES for 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCN(C)CCNC(=O)C1CC(C(=O)O)=NO1.

What is the InChIKey of 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

The InChIKey is VSFRBPITFWCGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-3-13(2)5-4-11-9(14)8-6-7(10(15)16)12-17-8/h8H,3-6H2,1-2H3,(H,11,14)(H,15,16).

What are the key properties of 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?

5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).