[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate

C19H19NO6S — CID 45497917

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)OCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C19H19NO6S/c1-13(2)27(22,23)16-7-5-14(6-8-16)10-19(21)25-12-15-11-18(26-20-15)17-4-3-9-24-17/h3-9,11,13H,10,12H2,1-2H3
InChIKeyZHOWEQBUDKKQHK-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.40
Rot. Bonds7

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate (PubChem CID 45497917) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate
PubChem CID45497917
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)OCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C19H19NO6S/c1-13(2)27(22,23)16-7-5-14(6-8-16)10-19(21)25-12-15-11-18(26-20-15)17-4-3-9-24-17/h3-9,11,13H,10,12H2,1-2H3
InChIKeyZHOWEQBUDKKQHK-UHFFFAOYSA-N
XLogP3.40
TPSA99.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate (CID 45497917) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate is CC(C)S(=O)(=O)c1ccc(CC(=O)OCc2cc(-c3ccco3)on2)cc1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate?
The InChIKey is ZHOWEQBUDKKQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S/c1-13(2)27(22,23)16-7-5-14(6-8-16)10-19(21)25-12-15-11-18(26-20-15)17-4-3-9-24-17/h3-9,11,13H,10,12H2,1-2H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate has a molecular weight of 389.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate is sourced from PubChem (CID 45497917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).