[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone

C38H49FN2O5Si — CID 87368640

IUPAC[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone
SMILESCC(C)=NOc1c(C(=O)C2CCOCC2)cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(N2C[C@@H](C)O[C@@H](C)C2)c1F
InChIInChI=1S/C38H49FN2O5Si/c1-26(2)40-46-37-33(36(42)29-18-20-43-21-19-29)22-30(35(34(37)39)41-23-27(3)45-28(4)24-41)25-44-47(38(5,6)7,31-14-10-8-11-15-31)32-16-12-9-13-17-32/h8-17,22,27-29H,18-21,23-25H2,1-7H3/t27-,28+
InChIKeyJJCNEZGYTIWCGZ-HNRBIFIRSA-N
MW660.90 g/mol
LogP6.90
Rot. Bonds10

About [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone

[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone (PubChem CID 87368640) has the molecular formula C38H49FN2O5Si and a molecular weight of 660.90 g/mol. Its IUPAC name is [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone
PubChem CID87368640
Molecular FormulaC38H49FN2O5Si
Molecular Weight660.90 g/mol
Exact Mass660.34
IUPAC Name[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone
SMILESCC(C)=NOc1c(C(=O)C2CCOCC2)cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(N2C[C@@H](C)O[C@@H](C)C2)c1F
InChIInChI=1S/C38H49FN2O5Si/c1-26(2)40-46-37-33(36(42)29-18-20-43-21-19-29)22-30(35(34(37)39)41-23-27(3)45-28(4)24-41)25-44-47(38(5,6)7,31-14-10-8-11-15-31)32-16-12-9-13-17-32/h8-17,22,27-29H,18-21,23-25H2,1-7H3/t27-,28+
InChIKeyJJCNEZGYTIWCGZ-HNRBIFIRSA-N
XLogP6.90
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.90
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone?
The IUPAC name of [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone (CID 87368640) is [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone.
What is the SMILES notation for [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone?
The canonical SMILES for [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone is CC(C)=NOc1c(C(=O)C2CCOCC2)cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(N2C[C@@H](C)O[C@@H](C)C2)c1F.
What is the InChIKey of [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone?
The InChIKey is JJCNEZGYTIWCGZ-HNRBIFIRSA-N. The full InChI is InChI=1S/C38H49FN2O5Si/c1-26(2)40-46-37-33(36(42)29-18-20-43-21-19-29)22-30(35(34(37)39)41-23-27(3)45-28(4)24-41)25-44-47(38(5,6)7,31-14-10-8-11-15-31)32-16-12-9-13-17-32/h8-17,22,27-29H,18-21,23-25H2,1-7H3/t27-,28+.
What are the key properties of [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone?
[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone has a molecular weight of 660.90 g/mol, XLogP of 6.90, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-(propan-2-ylideneamino)oxyphenyl]-(oxan-4-yl)methanone is sourced from PubChem (CID 87368640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).