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

C20H14F2N2O2S2 — CID 16603689

IUPAC2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(OCc2nc(CSc3ncc(-c4ccc(F)cc4)o3)cs2)cc1
InChIInChI=1S/C20H14F2N2O2S2/c21-14-3-1-13(2-4-14)18-9-23-20(26-18)28-12-16-11-27-19(24-16)10-25-17-7-5-15(22)6-8-17/h1-9,11H,10,12H2
InChIKeyNIPHQZGLJBHGKN-UHFFFAOYSA-N
MW416.47 g/mol
LogP5.95
Rot. Bonds7

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

2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole (PubChem CID 16603689) has the molecular formula C20H14F2N2O2S2 and a molecular weight of 416.47 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole
PubChem CID16603689
Molecular FormulaC20H14F2N2O2S2
Molecular Weight416.47 g/mol
Exact Mass416.05
IUPAC Name2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(OCc2nc(CSc3ncc(-c4ccc(F)cc4)o3)cs2)cc1
InChIInChI=1S/C20H14F2N2O2S2/c21-14-3-1-13(2-4-14)18-9-23-20(26-18)28-12-16-11-27-19(24-16)10-25-17-7-5-15(22)6-8-17/h1-9,11H,10,12H2
InChIKeyNIPHQZGLJBHGKN-UHFFFAOYSA-N
XLogP5.95
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole (CID 16603689) is 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole is Fc1ccc(OCc2nc(CSc3ncc(-c4ccc(F)cc4)o3)cs2)cc1.
What is the InChIKey of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is NIPHQZGLJBHGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O2S2/c21-14-3-1-13(2-4-14)18-9-23-20(26-18)28-12-16-11-27-19(24-16)10-25-17-7-5-15(22)6-8-17/h1-9,11H,10,12H2.
What are the key properties of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole?
2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 416.47 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 16603689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).