2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H17N3O4S — CID 31470349

About 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 31470349) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 31470349
• Molecular Formula: C14H17N3O4S
• Molecular Weight: 323.37 g/mol
• Exact Mass: 323.09
• IUPAC Name: 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: Cc1cc(NC(=O)CSCC(=O)N(C)Cc2ccco2)no1
• InChI: InChI=1S/C14H17N3O4S/c1-10-6-12(16-21-10)15-13(18)8-22-9-14(19)17(2)7-11-4-3-5-20-11/h3-6H,7-9H2,1-2H3,(H,15,16,18)
• InChIKey: NMBUDRGBYOMQDN-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 88.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.37
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 31470349) is 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSCC(=O)N(C)Cc2ccco2)no1.

What is the InChIKey of 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is NMBUDRGBYOMQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10-6-12(16-21-10)15-13(18)8-22-9-14(19)17(2)7-11-4-3-5-20-11/h3-6H,7-9H2,1-2H3,(H,15,16,18).

What are the key properties of 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 323.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 31470349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).