2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

C25H23N5O2S — CID 24527625

About 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 24527625) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
• PubChem CID: 24527625
• Molecular Formula: C25H23N5O2S
• Molecular Weight: 457.56 g/mol
• Exact Mass: 457.16
• IUPAC Name: 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
• SMILES: Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nccn2-c2ccccc2C(C)C)o1
• InChI: InChI=1S/C25H23N5O2S/c1-16(2)19-11-7-8-12-20(19)30-14-13-26-25(30)33-15-21-27-28-24(31-21)22-17(3)32-29-23(22)18-9-5-4-6-10-18/h4-14,16H,15H2,1-3H3
• InChIKey: UXCFLEYGEAVBDT-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 82.77 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.56
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 24527625) is 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nccn2-c2ccccc2C(C)C)o1.

What is the InChIKey of 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?

The InChIKey is UXCFLEYGEAVBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-16(2)19-11-7-8-12-20(19)30-14-13-26-25(30)33-15-21-27-28-24(31-21)22-17(3)32-29-23(22)18-9-5-4-6-10-18/h4-14,16H,15H2,1-3H3.

What are the key properties of 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?

2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 457.56 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 24527625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).