5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)

C122H107N19O23S6 — CID 157385084

About 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)

5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione) (PubChem CID 157385084) has the molecular formula C122H107N19O23S6 and a molecular weight of 2399.71 g/mol. Its IUPAC name is 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione).

Molecular Properties

• Compound Name: 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)
• PubChem CID: 157385084
• Molecular Formula: C122H107N19O23S6
• Molecular Weight: 2399.71 g/mol
• Exact Mass: 2397.61
• IUPAC Name: 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)
• SMILES: CCc1cccc(COc2ccc(Sc3ocnc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3cnn(C)c3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ncoc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ncoc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ocnc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ocnc3C3NC(=O)NC3=O)cc2)c1
• InChI: InChI=1S/C21H20N4O3S.C21H19N3O4S.4C20H17N3O4S/c1-13-4-3-5-14(10-13)12-28-15-6-8-16(9-7-15)29-17-11-22-25(2)19(17)18-20(26)24-21(27)23-18;1-2-13-4-3-5-14(10-13)11-27-15-6-8-16(9-7-15)29-20-18(22-12-28-20)17-19(25)24-21(26)23-17;2*1-12-3-2-4-13(9-12)10-26-14-5-7-15(8-6-14)28-19-17(27-11-21-19)16-18(24)23-20(25)22-16;2*1-12-3-2-4-13(9-12)10-26-14-5-7-15(8-6-14)28-19-17(21-11-27-19)16-18(24)23-20(25)22-16/h3-11,18H,12H2,1-2H3,(H2,23,24,26,27);3-10,12,17H,2,11H2,1H3,(H2,23,24,25,26);4*2-9,11,16H,10H2,1H3,(H2,22,23,24,25)
• InChIKey: BLIKEQUPSSLOPS-UHFFFAOYSA-N
• XLogP: 21.56
• TPSA: 552.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 37
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2399.71
LogP ≤ 5	21.56
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)?

The IUPAC name of 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione) (CID 157385084) is 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione).

What is the SMILES notation for 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)?

The canonical SMILES for 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione) is CCc1cccc(COc2ccc(Sc3ocnc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3cnn(C)c3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ncoc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ncoc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ocnc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3ocnc3C3NC(=O)NC3=O)cc2)c1.

What is the InChIKey of 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)?

The InChIKey is BLIKEQUPSSLOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S.C21H19N3O4S.4C20H17N3O4S/c1-13-4-3-5-14(10-13)12-28-15-6-8-16(9-7-15)29-17-11-22-25(2)19(17)18-20(26)24-21(27)23-18;1-2-13-4-3-5-14(10-13)11-27-15-6-8-16(9-7-15)29-20-18(22-12-28-20)17-19(25)24-21(26)23-17;2*1-12-3-2-4-13(9-12)10-26-14-5-7-15(8-6-14)28-19-17(27-11-21-19)16-18(24)23-20(25)22-16;2*1-12-3-2-4-13(9-12)10-26-14-5-7-15(8-6-14)28-19-17(21-11-27-19)16-18(24)23-20(25)22-16/h3-11,18H,12H2,1-2H3,(H2,23,24,26,27);3-10,12,17H,2,11H2,1H3,(H2,23,24,25,26);4*2-9,11,16H,10H2,1H3,(H2,22,23,24,25).

What are the key properties of 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione)?

5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione) has a molecular weight of 2399.71 g/mol, XLogP of 21.56, 37 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[4-[(3-ethylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione;5-[1-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyrazol-5-yl]imidazolidine-2,4-dione;bis(5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-5-yl]imidazolidine-2,4-dione);bis(5-[5-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1,3-oxazol-4-yl]imidazolidine-2,4-dione) is sourced from PubChem (CID 157385084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).