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

C20H15FN2O4S — CID 32928952

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)OCc1csc(-c2ccco2)n1
InChIInChI=1S/C20H15FN2O4S/c21-14-5-3-13(4-6-14)17-10-22-18(27-17)7-8-19(24)26-11-15-12-28-20(23-15)16-2-1-9-25-16/h1-6,9-10,12H,7-8,11H2
InChIKeyCJRRXCXFCGZKFT-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.87
Rot. Bonds7

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

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 32928952) has the molecular formula C20H15FN2O4S and a molecular weight of 398.42 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID32928952
Molecular FormulaC20H15FN2O4S
Molecular Weight398.42 g/mol
Exact Mass398.07
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)OCc1csc(-c2ccco2)n1
InChIInChI=1S/C20H15FN2O4S/c21-14-5-3-13(4-6-14)17-10-22-18(27-17)7-8-19(24)26-11-15-12-28-20(23-15)16-2-1-9-25-16/h1-6,9-10,12H,7-8,11H2
InChIKeyCJRRXCXFCGZKFT-UHFFFAOYSA-N
XLogP4.87
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 32928952) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is O=C(CCc1ncc(-c2ccc(F)cc2)o1)OCc1csc(-c2ccco2)n1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is CJRRXCXFCGZKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4S/c21-14-5-3-13(4-6-14)17-10-22-18(27-17)7-8-19(24)26-11-15-12-28-20(23-15)16-2-1-9-25-16/h1-6,9-10,12H,7-8,11H2.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 398.42 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 32928952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).