N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C23H25N5O3S — CID 55814387

About N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 55814387) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 55814387
• Molecular Formula: C23H25N5O3S
• Molecular Weight: 451.55 g/mol
• Exact Mass: 451.17
• IUPAC Name: N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2cccc(N3CCOC3=O)c2)cc1
• InChI: InChI=1S/C23H25N5O3S/c1-16(2)18-6-8-19(9-7-18)28-15-25-26-22(28)32-14-21(29)24-13-17-4-3-5-20(12-17)27-10-11-31-23(27)30/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,24,29)
• InChIKey: UKSMJOFBWALZCI-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.55
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 55814387) is N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

What is the SMILES notation for N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The canonical SMILES for N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2cccc(N3CCOC3=O)c2)cc1.

What is the InChIKey of N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The InChIKey is UKSMJOFBWALZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-16(2)18-6-8-19(9-7-18)28-15-25-26-22(28)32-14-21(29)24-13-17-4-3-5-20(12-17)27-10-11-31-23(27)30/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,24,29).

What are the key properties of N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 451.55 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 55814387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).