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

C19H12F2N2OS2 — CID 16603654

IUPAC5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole
SMILESFc1ccc(-c2cnc(SCc3csc(-c4ccc(F)cc4)n3)o2)cc1
InChIInChI=1S/C19H12F2N2OS2/c20-14-5-1-12(2-6-14)17-9-22-19(24-17)26-11-16-10-25-18(23-16)13-3-7-15(21)8-4-13/h1-10H,11H2
InChIKeyNMBRDKQWBWIINU-UHFFFAOYSA-N
MW386.45 g/mol
LogP6.04
Rot. Bonds5

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

5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole (PubChem CID 16603654) has the molecular formula C19H12F2N2OS2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole
PubChem CID16603654
Molecular FormulaC19H12F2N2OS2
Molecular Weight386.45 g/mol
Exact Mass386.04
IUPAC Name5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole
SMILESFc1ccc(-c2cnc(SCc3csc(-c4ccc(F)cc4)n3)o2)cc1
InChIInChI=1S/C19H12F2N2OS2/c20-14-5-1-12(2-6-14)17-9-22-19(24-17)26-11-16-10-25-18(23-16)13-3-7-15(21)8-4-13/h1-10H,11H2
InChIKeyNMBRDKQWBWIINU-UHFFFAOYSA-N
XLogP6.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole (CID 16603654) is 5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole is Fc1ccc(-c2cnc(SCc3csc(-c4ccc(F)cc4)n3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole?
The InChIKey is NMBRDKQWBWIINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2OS2/c20-14-5-1-12(2-6-14)17-9-22-19(24-17)26-11-16-10-25-18(23-16)13-3-7-15(21)8-4-13/h1-10H,11H2.
What are the key properties of 5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole?
5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole has a molecular weight of 386.45 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 16603654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).