2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole

C18H13FN2O2S2 — CID 78860699

IUPAC2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(CSCc3coc(-c4cccs4)n3)co2)c1
InChIInChI=1S/C18H13FN2O2S2/c19-13-4-1-3-12(7-13)17-20-14(8-22-17)10-24-11-15-9-23-18(21-15)16-5-2-6-25-16/h1-9H,10-11H2
InChIKeyOQCQWHFIZJKNMZ-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.63
Rot. Bonds6

About 2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole

2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole (PubChem CID 78860699) has the molecular formula C18H13FN2O2S2 and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
PubChem CID78860699
Molecular FormulaC18H13FN2O2S2
Molecular Weight372.45 g/mol
Exact Mass372.04
IUPAC Name2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(CSCc3coc(-c4cccs4)n3)co2)c1
InChIInChI=1S/C18H13FN2O2S2/c19-13-4-1-3-12(7-13)17-20-14(8-22-17)10-24-11-15-9-23-18(21-15)16-5-2-6-25-16/h1-9H,10-11H2
InChIKeyOQCQWHFIZJKNMZ-UHFFFAOYSA-N
XLogP5.63
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole?
The IUPAC name of 2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole (CID 78860699) is 2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole is Fc1cccc(-c2nc(CSCc3coc(-c4cccs4)n3)co2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole?
The InChIKey is OQCQWHFIZJKNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2S2/c19-13-4-1-3-12(7-13)17-20-14(8-22-17)10-24-11-15-9-23-18(21-15)16-5-2-6-25-16/h1-9H,10-11H2.
What are the key properties of 2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole?
2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole has a molecular weight of 372.45 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 78860699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).