(1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol

C41H59NO3Si — CID 11072311

IUPAC(1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol
SMILESCCCCCCCCCCCCCC[C@H](O)[C@H]1OC(c2ccccc2)=N[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H59NO3Si/c1-5-6-7-8-9-10-11-12-13-14-15-25-32-38(43)39-37(42-40(45-39)34-26-19-16-20-27-34)33-44-46(41(2,3)4,35-28-21-17-22-29-35)36-30-23-18-24-31-36/h16-24,26-31,37-39,43H,5-15,25,32-33H2,1-4H3/t37-,38-,39-/m0/s1
InChIKeyFHHCKQVPNWPQBW-IGMOWHQGSA-N
MW642.01 g/mol
LogP9.23
Rot. Bonds20

About (1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol

(1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol (PubChem CID 11072311) has the molecular formula C41H59NO3Si and a molecular weight of 642.01 g/mol. Its IUPAC name is (1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol
PubChem CID11072311
Molecular FormulaC41H59NO3Si
Molecular Weight642.01 g/mol
Exact Mass641.43
IUPAC Name(1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol
SMILESCCCCCCCCCCCCCC[C@H](O)[C@H]1OC(c2ccccc2)=N[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H59NO3Si/c1-5-6-7-8-9-10-11-12-13-14-15-25-32-38(43)39-37(42-40(45-39)34-26-19-16-20-27-34)33-44-46(41(2,3)4,35-28-21-17-22-29-35)36-30-23-18-24-31-36/h16-24,26-31,37-39,43H,5-15,25,32-33H2,1-4H3/t37-,38-,39-/m0/s1
InChIKeyFHHCKQVPNWPQBW-IGMOWHQGSA-N
XLogP9.23
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.01
LogP ≤ 59.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one
CID 51031891
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol
CID 10895162
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
(3R,6E,10E)-1-[tert-butyl(diphenyl)silyl]oxy-13-[(4R,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]trideca-6,10-dien-3-ol
CID 11814564
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol
CID 10883802
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
CID 11037048

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol?
The IUPAC name of (1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol (CID 11072311) is (1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol.
What is the SMILES notation for (1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol?
The canonical SMILES for (1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol is CCCCCCCCCCCCCC[C@H](O)[C@H]1OC(c2ccccc2)=N[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol?
The InChIKey is FHHCKQVPNWPQBW-IGMOWHQGSA-N. The full InChI is InChI=1S/C41H59NO3Si/c1-5-6-7-8-9-10-11-12-13-14-15-25-32-38(43)39-37(42-40(45-39)34-26-19-16-20-27-34)33-44-46(41(2,3)4,35-28-21-17-22-29-35)36-30-23-18-24-31-36/h16-24,26-31,37-39,43H,5-15,25,32-33H2,1-4H3/t37-,38-,39-/m0/s1.
What are the key properties of (1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol?
(1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol has a molecular weight of 642.01 g/mol, XLogP of 9.23, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]pentadecan-1-ol is sourced from PubChem (CID 11072311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).