1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C29H39N5O4Si — CID 59524379

About 1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione

1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 59524379) has the molecular formula C29H39N5O4Si and a molecular weight of 549.75 g/mol. Its IUPAC name is 1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

• Compound Name: 1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
• PubChem CID: 59524379
• Molecular Formula: C29H39N5O4Si
• Molecular Weight: 549.75 g/mol
• Exact Mass: 549.28
• IUPAC Name: 1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
• SMILES: Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(O[Si](C)(C)C(C)(C)C)c3)C3(CCCC3)C2=O)cn1
• InChI: InChI=1S/C29H39N5O4Si/c1-20-25(21(2)37-31-20)19-32-18-23(16-30-32)34-26(35)29(13-8-9-14-29)33(27(34)36)17-22-11-10-12-24(15-22)38-39(6,7)28(3,4)5/h10-12,15-16,18H,8-9,13-14,17,19H2,1-7H3
• InChIKey: FSLMMORSAJTSJD-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 93.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.75
LogP ≤ 5	6.20
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 1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?

The IUPAC name of 1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 59524379) is 1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

What is the SMILES notation for 1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?

The canonical SMILES for 1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(O[Si](C)(C)C(C)(C)C)c3)C3(CCCC3)C2=O)cn1.

What is the InChIKey of 1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?

The InChIKey is FSLMMORSAJTSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O4Si/c1-20-25(21(2)37-31-20)19-32-18-23(16-30-32)34-26(35)29(13-8-9-14-29)33(27(34)36)17-22-11-10-12-24(15-22)38-39(6,7)28(3,4)5/h10-12,15-16,18H,8-9,13-14,17,19H2,1-7H3.

What are the key properties of 1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione?

1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 549.75 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 59524379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).