N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine

C35H41F2N3O4Si — CID 90963030

About N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine

N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine (PubChem CID 90963030) has the molecular formula C35H41F2N3O4Si and a molecular weight of 633.81 g/mol. Its IUPAC name is N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

• Compound Name: N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine
• PubChem CID: 90963030
• Molecular Formula: C35H41F2N3O4Si
• Molecular Weight: 633.81 g/mol
• Exact Mass: 633.28
• IUPAC Name: N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine
• SMILES: Cc1noc(C)c1C(=NO)c1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(N2CC(C)OC(C)C2)c(F)c1F
• InChI: InChI=1S/C35H41F2N3O4Si/c1-22-19-40(20-23(2)43-22)34-26(18-29(31(36)32(34)37)33(38-41)30-24(3)39-44-25(30)4)21-42-45(35(5,6)7,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-18,22-23,41H,19-21H2,1-7H3
• InChIKey: ZUAMLIHRNGLEKF-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 80.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.81
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine?

The IUPAC name of N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine (CID 90963030) is N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine.

What is the SMILES notation for N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine?

The canonical SMILES for N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine is Cc1noc(C)c1C(=NO)c1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(N2CC(C)OC(C)C2)c(F)c1F.

What is the InChIKey of N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine?

The InChIKey is ZUAMLIHRNGLEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41F2N3O4Si/c1-22-19-40(20-23(2)43-22)34-26(18-29(31(36)32(34)37)33(38-41)30-24(3)39-44-25(30)4)21-42-45(35(5,6)7,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-18,22-23,41H,19-21H2,1-7H3.

What are the key properties of N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine?

N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine has a molecular weight of 633.81 g/mol, XLogP of 6.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 90963030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).