(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide

C22H20N4O2S — CID 41168679

About (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide (PubChem CID 41168679) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide
• PubChem CID: 41168679
• Molecular Formula: C22H20N4O2S
• Molecular Weight: 404.50 g/mol
• Exact Mass: 404.13
• IUPAC Name: (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide
• SMILES: Cc1cc(NC(=O)[C@H](Sc2nc(-c3ccccc3)c(C)[nH]2)c2ccccc2)no1
• InChI: InChI=1S/C22H20N4O2S/c1-14-13-18(26-28-14)24-21(27)20(17-11-7-4-8-12-17)29-22-23-15(2)19(25-22)16-9-5-3-6-10-16/h3-13,20H,1-2H3,(H,23,25)(H,24,26,27)/t20-/m1/s1
• InChIKey: UGZBKZDKOVCDHW-HXUWFJFHSA-N
• XLogP: 5.15
• TPSA: 83.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.50
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide (CID 41168679) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide.

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

The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide is Cc1cc(NC(=O)[C@H](Sc2nc(-c3ccccc3)c(C)[nH]2)c2ccccc2)no1.

What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide?

The InChIKey is UGZBKZDKOVCDHW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-14-13-18(26-28-14)24-21(27)20(17-11-7-4-8-12-17)29-22-23-15(2)19(25-22)16-9-5-3-6-10-16/h3-13,20H,1-2H3,(H,23,25)(H,24,26,27)/t20-/m1/s1.

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

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 404.50 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 41168679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).