(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol

C15H26FNO3Si — CID 67548465

IUPAC(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol
SMILESCc1nc(/C=C(\F)[C@H](CCO)O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C15H26FNO3Si/c1-11-17-12(10-19-11)9-13(16)14(7-8-18)20-21(5,6)15(2,3)4/h9-10,14,18H,7-8H2,1-6H3/b13-9-/t14-/m0/s1
InChIKeyMPNOHEGWYQHCMZ-XXYUJHKVSA-N
MW315.46 g/mol
LogP4.07
Rot. Bonds6

About (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol

(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol (PubChem CID 67548465) has the molecular formula C15H26FNO3Si and a molecular weight of 315.46 g/mol. Its IUPAC name is (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol
PubChem CID67548465
Molecular FormulaC15H26FNO3Si
Molecular Weight315.46 g/mol
Exact Mass315.17
IUPAC Name(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol
SMILESCc1nc(/C=C(\F)[C@H](CCO)O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C15H26FNO3Si/c1-11-17-12(10-19-11)9-13(16)14(7-8-18)20-21(5,6)15(2,3)4/h9-10,14,18H,7-8H2,1-6H3/b13-9-/t14-/m0/s1
InChIKeyMPNOHEGWYQHCMZ-XXYUJHKVSA-N
XLogP4.07
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol?
The IUPAC name of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol (CID 67548465) is (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol.
What is the SMILES notation for (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol?
The canonical SMILES for (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol is Cc1nc(/C=C(\F)[C@H](CCO)O[Si](C)(C)C(C)(C)C)co1.
What is the InChIKey of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol?
The InChIKey is MPNOHEGWYQHCMZ-XXYUJHKVSA-N. The full InChI is InChI=1S/C15H26FNO3Si/c1-11-17-12(10-19-11)9-13(16)14(7-8-18)20-21(5,6)15(2,3)4/h9-10,14,18H,7-8H2,1-6H3/b13-9-/t14-/m0/s1.
What are the key properties of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol?
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol has a molecular weight of 315.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol is sourced from PubChem (CID 67548465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).