furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

C22H22N3O3S+ — CID 8678477

About furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 8678477) has the molecular formula C22H22N3O3S+ and a molecular weight of 408.50 g/mol. Its IUPAC name is furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

• Compound Name: furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
• PubChem CID: 8678477
• Molecular Formula: C22H22N3O3S+
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.14
• IUPAC Name: furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
• SMILES: Cc1ccc(-c2cc(NC(=O)C[NH+](Cc3ccco3)Cc3cccs3)on2)cc1
• InChI: InChI=1S/C22H21N3O3S/c1-16-6-8-17(9-7-16)20-12-22(28-24-20)23-21(26)15-25(13-18-4-2-10-27-18)14-19-5-3-11-29-19/h2-12H,13-15H2,1H3,(H,23,26)/p+1
• InChIKey: OWKIAVBFNFHIEP-UHFFFAOYSA-O
• XLogP: 3.53
• TPSA: 72.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?

The IUPAC name of furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (CID 8678477) is furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.

What is the SMILES notation for furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?

The canonical SMILES for furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is Cc1ccc(-c2cc(NC(=O)C[NH+](Cc3ccco3)Cc3cccs3)on2)cc1.

What is the InChIKey of furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?

The InChIKey is OWKIAVBFNFHIEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21N3O3S/c1-16-6-8-17(9-7-16)20-12-22(28-24-20)23-21(26)15-25(13-18-4-2-10-27-18)14-19-5-3-11-29-19/h2-12H,13-15H2,1H3,(H,23,26)/p+1.

What are the key properties of furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?

furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 408.50 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8678477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).