[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate

C19H16FNO5S — CID 45497891

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate
SMILESO=C(CCS(=O)(=O)c1ccccc1)OCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C19H16FNO5S/c20-15-8-6-14(7-9-15)18-12-16(21-26-18)13-25-19(22)10-11-27(23,24)17-4-2-1-3-5-17/h1-9,12H,10-11,13H2
InChIKeyQLESYEIXGHQKGS-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.39
Rot. Bonds7

About [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate (PubChem CID 45497891) has the molecular formula C19H16FNO5S and a molecular weight of 389.40 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate
PubChem CID45497891
Molecular FormulaC19H16FNO5S
Molecular Weight389.40 g/mol
Exact Mass389.07
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate
SMILESO=C(CCS(=O)(=O)c1ccccc1)OCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C19H16FNO5S/c20-15-8-6-14(7-9-15)18-12-16(21-26-18)13-25-19(22)10-11-27(23,24)17-4-2-1-3-5-17/h1-9,12H,10-11,13H2
InChIKeyQLESYEIXGHQKGS-UHFFFAOYSA-N
XLogP3.39
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate (CID 45497891) is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate is O=C(CCS(=O)(=O)c1ccccc1)OCc1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate?
The InChIKey is QLESYEIXGHQKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO5S/c20-15-8-6-14(7-9-15)18-12-16(21-26-18)13-25-19(22)10-11-27(23,24)17-4-2-1-3-5-17/h1-9,12H,10-11,13H2.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate?
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate has a molecular weight of 389.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate is sourced from PubChem (CID 45497891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).