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
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[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)
SMILESCCc1cccc(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
InChIInChI=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)
InChIKeyBLIKEQUPSSLOPS-UHFFFAOYSA-N
MW2399.71 g/mol
LogP21.56
Rot. Bonds37
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).
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Sources
- PubChem CID 157385084 — identifiers, structure, computed properties (public domain)
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