[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate

C18H14FNO5S — CID 57275344

IUPAC[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate
SMILESCC(=O)Oc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C18H14FNO5S/c1-11(21)24-18-20-16(12-3-7-14(19)8-4-12)17(25-18)13-5-9-15(10-6-13)26(2,22)23/h3-10H,1-2H3
InChIKeySINMEXQGIPGIAZ-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.48
Rot. Bonds4

About [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate

[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate (PubChem CID 57275344) has the molecular formula C18H14FNO5S and a molecular weight of 375.38 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate
PubChem CID57275344
Molecular FormulaC18H14FNO5S
Molecular Weight375.38 g/mol
Exact Mass375.06
IUPAC Name[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate
SMILESCC(=O)Oc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C18H14FNO5S/c1-11(21)24-18-20-16(12-3-7-14(19)8-4-12)17(25-18)13-5-9-15(10-6-13)26(2,22)23/h3-10H,1-2H3
InChIKeySINMEXQGIPGIAZ-UHFFFAOYSA-N
XLogP3.48
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate?
The IUPAC name of [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate (CID 57275344) is [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate.
What is the SMILES notation for [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate?
The canonical SMILES for [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate is CC(=O)Oc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1.
What is the InChIKey of [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate?
The InChIKey is SINMEXQGIPGIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO5S/c1-11(21)24-18-20-16(12-3-7-14(19)8-4-12)17(25-18)13-5-9-15(10-6-13)26(2,22)23/h3-10H,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate?
[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate has a molecular weight of 375.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl] acetate is sourced from PubChem (CID 57275344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).