4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one

C35H29N3O5S — CID 54092892

About 4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one

4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one (PubChem CID 54092892) has the molecular formula C35H29N3O5S and a molecular weight of 603.70 g/mol. Its IUPAC name is 4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one
• PubChem CID: 54092892
• Molecular Formula: C35H29N3O5S
• Molecular Weight: 603.70 g/mol
• Exact Mass: 603.18
• IUPAC Name: 4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one
• SMILES: O=c1sc(CCc2ccc(OCc3coc(C=Cc4ccccc4)n3)cc2)c(O)n1Cc1coc(C=Cc2ccccc2)n1
• InChI: InChI=1S/C35H29N3O5S/c39-34-31(44-35(40)38(34)21-28-22-42-32(36-28)19-14-25-7-3-1-4-8-25)18-13-27-11-16-30(17-12-27)41-23-29-24-43-33(37-29)20-15-26-9-5-2-6-10-26/h1-12,14-17,19-20,22,24,39H,13,18,21,23H2
• InChIKey: MVBWSHQZRYJNJH-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 103.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.70
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one?

The IUPAC name of 4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one (CID 54092892) is 4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one.

What is the SMILES notation for 4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one?

The canonical SMILES for 4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one is O=c1sc(CCc2ccc(OCc3coc(C=Cc4ccccc4)n3)cc2)c(O)n1Cc1coc(C=Cc2ccccc2)n1.

What is the InChIKey of 4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one?

The InChIKey is MVBWSHQZRYJNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N3O5S/c39-34-31(44-35(40)38(34)21-28-22-42-32(36-28)19-14-25-7-3-1-4-8-25)18-13-27-11-16-30(17-12-27)41-23-29-24-43-33(37-29)20-15-26-9-5-2-6-10-26/h1-12,14-17,19-20,22,24,39H,13,18,21,23H2.

What are the key properties of 4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one?

4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one has a molecular weight of 603.70 g/mol, XLogP of 7.34, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 54092892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).