3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C13H16ClN3O3S — CID 51088784

About 3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 51088784) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• PubChem CID: 51088784
• Molecular Formula: C13H16ClN3O3S
• Molecular Weight: 329.81 g/mol
• Exact Mass: 329.06
• IUPAC Name: 3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• SMILES: CCCNC(=O)CNC(=O)C1CC(c2ccc(Cl)s2)=NO1
• InChI: InChI=1S/C13H16ClN3O3S/c1-2-5-15-12(18)7-16-13(19)9-6-8(17-20-9)10-3-4-11(14)21-10/h3-4,9H,2,5-7H2,1H3,(H,15,18)(H,16,19)
• InChIKey: ZEDFITNOBVABOE-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.81
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 51088784) is 3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CCCNC(=O)CNC(=O)C1CC(c2ccc(Cl)s2)=NO1.

What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The InChIKey is ZEDFITNOBVABOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-2-5-15-12(18)7-16-13(19)9-6-8(17-20-9)10-3-4-11(14)21-10/h3-4,9H,2,5-7H2,1H3,(H,15,18)(H,16,19).

What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 329.81 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51088784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).