(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol

C24H31NO3Si — CID 101079089

IUPAC(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESC=C(C)C1=NO[C@@H]([C@@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C24H31NO3Si/c1-18(2)21-16-23(28-25-21)22(26)17-27-29(24(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22-23,26H,1,16-17H2,2-5H3/t22-,23+/m0/s1
InChIKeyFOARKCDTIMTOJM-XZOQPEGZSA-N
MW409.60 g/mol
LogP3.64
Rot. Bonds7

About (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol

(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (PubChem CID 101079089) has the molecular formula C24H31NO3Si and a molecular weight of 409.60 g/mol. Its IUPAC name is (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
PubChem CID101079089
Molecular FormulaC24H31NO3Si
Molecular Weight409.60 g/mol
Exact Mass409.21
IUPAC Name(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESC=C(C)C1=NO[C@@H]([C@@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C24H31NO3Si/c1-18(2)21-16-23(28-25-21)22(26)17-27-29(24(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22-23,26H,1,16-17H2,2-5H3/t22-,23+/m0/s1
InChIKeyFOARKCDTIMTOJM-XZOQPEGZSA-N
XLogP3.64
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5S)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 101079090
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 23242980
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylselanylpropan-2-ol
CID 11305910
(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol
CID 101435848
1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
CID 18649513
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The IUPAC name of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (CID 101079089) is (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is C=C(C)C1=NO[C@@H]([C@@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The InChIKey is FOARKCDTIMTOJM-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H31NO3Si/c1-18(2)21-16-23(28-25-21)22(26)17-27-29(24(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22-23,26H,1,16-17H2,2-5H3/t22-,23+/m0/s1.
What are the key properties of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol has a molecular weight of 409.60 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 101079089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).