2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C18H20N4O2S — CID 46677194

About 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 46677194) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• PubChem CID: 46677194
• Molecular Formula: C18H20N4O2S
• Molecular Weight: 356.45 g/mol
• Exact Mass: 356.13
• IUPAC Name: 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• SMILES: Cc1cc(NC(=O)C(C)Sc2nccn2-c2ccc(C)c(C)c2)no1
• InChI: InChI=1S/C18H20N4O2S/c1-11-5-6-15(9-12(11)2)22-8-7-19-18(22)25-14(4)17(23)20-16-10-13(3)24-21-16/h5-10,14H,1-4H3,(H,20,21,23)
• InChIKey: JXPXJFKXDNXWFE-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.45
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 46677194) is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The canonical SMILES for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)Sc2nccn2-c2ccc(C)c(C)c2)no1.

What is the InChIKey of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The InChIKey is JXPXJFKXDNXWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-5-6-15(9-12(11)2)22-8-7-19-18(22)25-14(4)17(23)20-16-10-13(3)24-21-16/h5-10,14H,1-4H3,(H,20,21,23).

What are the key properties of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 356.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 46677194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).