(5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione

C26H35N5O4Si — CID 59524416

About (5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione

(5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 59524416) has the molecular formula C26H35N5O4Si and a molecular weight of 509.68 g/mol. Its IUPAC name is (5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 59524416
• Molecular Formula: C26H35N5O4Si
• Molecular Weight: 509.68 g/mol
• Exact Mass: 509.25
• IUPAC Name: (5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione
• SMILES: Cc1noc(C)c1Cn1cc(N2C(=O)[C@@H](C)N(Cc3cccc(O[Si](C)(C)C(C)(C)C)c3)C2=O)cn1
• InChI: InChI=1S/C26H35N5O4Si/c1-17-23(19(3)34-28-17)16-29-15-21(13-27-29)31-24(32)18(2)30(25(31)33)14-20-10-9-11-22(12-20)35-36(7,8)26(4,5)6/h9-13,15,18H,14,16H2,1-8H3/t18-/m1/s1
• InChIKey: JRSBTULPYCZXJN-GOSISDBHSA-N
• XLogP: 5.28
• TPSA: 93.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.68
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione (CID 59524416) is (5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)[C@@H](C)N(Cc3cccc(O[Si](C)(C)C(C)(C)C)c3)C2=O)cn1.

What is the InChIKey of (5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione?

The InChIKey is JRSBTULPYCZXJN-GOSISDBHSA-N. The full InChI is InChI=1S/C26H35N5O4Si/c1-17-23(19(3)34-28-17)16-29-15-21(13-27-29)31-24(32)18(2)30(25(31)33)14-20-10-9-11-22(12-20)35-36(7,8)26(4,5)6/h9-13,15,18H,14,16H2,1-8H3/t18-/m1/s1.

What are the key properties of (5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione?

(5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 509.68 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59524416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).