5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole

C17H11FN2O2S2 — CID 51112353

IUPAC5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole
SMILESFc1ccc(-c2cnc(SCc3csc(-c4ccco4)n3)o2)cc1
InChIInChI=1S/C17H11FN2O2S2/c18-12-5-3-11(4-6-12)15-8-19-17(22-15)24-10-13-9-23-16(20-13)14-2-1-7-21-14/h1-9H,10H2
InChIKeyCBXMQPJYXUGEGF-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.49
Rot. Bonds5

About 5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole

5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole (PubChem CID 51112353) has the molecular formula C17H11FN2O2S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole
PubChem CID51112353
Molecular FormulaC17H11FN2O2S2
Molecular Weight358.42 g/mol
Exact Mass358.02
IUPAC Name5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole
SMILESFc1ccc(-c2cnc(SCc3csc(-c4ccco4)n3)o2)cc1
InChIInChI=1S/C17H11FN2O2S2/c18-12-5-3-11(4-6-12)15-8-19-17(22-15)24-10-13-9-23-16(20-13)14-2-1-7-21-14/h1-9H,10H2
InChIKeyCBXMQPJYXUGEGF-UHFFFAOYSA-N
XLogP5.49
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole (CID 51112353) is 5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole is Fc1ccc(-c2cnc(SCc3csc(-c4ccco4)n3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole?
The InChIKey is CBXMQPJYXUGEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2S2/c18-12-5-3-11(4-6-12)15-8-19-17(22-15)24-10-13-9-23-16(20-13)14-2-1-7-21-14/h1-9H,10H2.
What are the key properties of 5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole?
5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole has a molecular weight of 358.42 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 51112353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).