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

C15H25FINO3Si — CID 150757509

IUPAC(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-iodo-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol
SMILESCc1nc(/C=C(\F)[C@H](CC(O)I)O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C15H25FINO3Si/c1-10-18-11(9-20-10)7-12(16)13(8-14(17)19)21-22(5,6)15(2,3)4/h7,9,13-14,19H,8H2,1-6H3/b12-7-/t13-,14?/m0/s1
InChIKeyJXDUBWKTCXRCSJ-QRYDFBDTSA-N
MW441.36 g/mol
LogP4.83
Rot. Bonds6

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

(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-iodo-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol (PubChem CID 150757509) has the molecular formula C15H25FINO3Si and a molecular weight of 441.36 g/mol. Its IUPAC name is (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-iodo-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-1-iodo-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol
PubChem CID150757509
Molecular FormulaC15H25FINO3Si
Molecular Weight441.36 g/mol
Exact Mass441.06
IUPAC Name(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-iodo-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol
SMILESCc1nc(/C=C(\F)[C@H](CC(O)I)O[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C15H25FINO3Si/c1-10-18-11(9-20-10)7-12(16)13(8-14(17)19)21-22(5,6)15(2,3)4/h7,9,13-14,19H,8H2,1-6H3/b12-7-/t13-,14?/m0/s1
InChIKeyJXDUBWKTCXRCSJ-QRYDFBDTSA-N
XLogP4.83
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-1-iodo-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-1-iodo-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol (CID 150757509) is (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-iodo-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-1-iodo-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-1-iodo-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol is Cc1nc(/C=C(\F)[C@H](CC(O)I)O[Si](C)(C)C(C)(C)C)co1.
What is the InChIKey of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-iodo-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol?
The InChIKey is JXDUBWKTCXRCSJ-QRYDFBDTSA-N. The full InChI is InChI=1S/C15H25FINO3Si/c1-10-18-11(9-20-10)7-12(16)13(8-14(17)19)21-22(5,6)15(2,3)4/h7,9,13-14,19H,8H2,1-6H3/b12-7-/t13-,14?/m0/s1.
What are the key properties of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-iodo-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol?
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-iodo-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol has a molecular weight of 441.36 g/mol, XLogP of 4.83, 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-1-iodo-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol is sourced from PubChem (CID 150757509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).