2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole

C16H12FNO3S — CID 75512661

IUPAC2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole
SMILESO=S(=O)(Cc1ncc(-c2ccccc2)o1)c1cccc(F)c1
InChIInChI=1S/C16H12FNO3S/c17-13-7-4-8-14(9-13)22(19,20)11-16-18-10-15(21-16)12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyIJYBOPJNSQCEFS-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.45
Rot. Bonds4

About 2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole

2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole (PubChem CID 75512661) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole
PubChem CID75512661
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole
SMILESO=S(=O)(Cc1ncc(-c2ccccc2)o1)c1cccc(F)c1
InChIInChI=1S/C16H12FNO3S/c17-13-7-4-8-14(9-13)22(19,20)11-16-18-10-15(21-16)12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyIJYBOPJNSQCEFS-UHFFFAOYSA-N
XLogP3.45
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole (CID 75512661) is 2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole is O=S(=O)(Cc1ncc(-c2ccccc2)o1)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole?
The InChIKey is IJYBOPJNSQCEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S/c17-13-7-4-8-14(9-13)22(19,20)11-16-18-10-15(21-16)12-5-2-1-3-6-12/h1-10H,11H2.
What are the key properties of 2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole?
2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole has a molecular weight of 317.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 75512661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).