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

C18H11FN2O4S — CID 8824709

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1cc(-c2ccco2)on1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H11FN2O4S/c19-12-5-3-11(4-6-12)17-20-14(10-26-17)18(22)24-9-13-8-16(25-21-13)15-2-1-7-23-15/h1-8,10H,9H2
InChIKeyWQTIARLOCBXFAE-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.55
Rot. Bonds5

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

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 8824709) has the molecular formula C18H11FN2O4S and a molecular weight of 370.36 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID8824709
Molecular FormulaC18H11FN2O4S
Molecular Weight370.36 g/mol
Exact Mass370.04
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1cc(-c2ccco2)on1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H11FN2O4S/c19-12-5-3-11(4-6-12)17-20-14(10-26-17)18(22)24-9-13-8-16(25-21-13)15-2-1-7-23-15/h1-8,10H,9H2
InChIKeyWQTIARLOCBXFAE-UHFFFAOYSA-N
XLogP4.55
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.55
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-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 8824709) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is O=C(OCc1cc(-c2ccco2)on1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WQTIARLOCBXFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O4S/c19-12-5-3-11(4-6-12)17-20-14(10-26-17)18(22)24-9-13-8-16(25-21-13)15-2-1-7-23-15/h1-8,10H,9H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 4.55, 5 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-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8824709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).