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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Related Compounds

4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
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CID 16191257
5-(2-Benzyl-1,3-thiazol-4-yl)-2-(4-fluorophenyl)-4-methyl-1,3-oxazole
CID 137631643
2-(4-Fluorophenyl)-5-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-oxazole
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2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
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Myc-IN-2
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(2E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 7172715
5-(4-fluorophenyl)-N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)oxazole-2-carboxamide
CID 76145348
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 18532307
2-(4-Fluorophenyl)-1-(4-((4-(furan-2-yl)thiazol-2-yl)methyl)piperazin-1-yl)ethanone
CID 30860549
2-(4-Fluorophenyl)-4-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1,3-oxazole
CID 137652011
5-[2-[(4-Fluorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-phenyl-1,3-oxazole
CID 137654053

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).