4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole

C17H14FNO3S — CID 10568477

IUPAC4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)Cc2ocnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO3S/c1-12-2-8-15(9-3-12)23(20,21)10-16-17(19-11-22-16)13-4-6-14(18)7-5-13/h2-9,11H,10H2,1H3
InChIKeyVNZNWSTUEUICMD-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.76
Rot. Bonds4

About 4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole

4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole (PubChem CID 10568477) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole
PubChem CID10568477
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Name4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)Cc2ocnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO3S/c1-12-2-8-15(9-3-12)23(20,21)10-16-17(19-11-22-16)13-4-6-14(18)7-5-13/h2-9,11H,10H2,1H3
InChIKeyVNZNWSTUEUICMD-UHFFFAOYSA-N
XLogP3.76
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole (CID 10568477) is 4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole is Cc1ccc(S(=O)(=O)Cc2ocnc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole?
The InChIKey is VNZNWSTUEUICMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c1-12-2-8-15(9-3-12)23(20,21)10-16-17(19-11-22-16)13-4-6-14(18)7-5-13/h2-9,11H,10H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole?
4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole has a molecular weight of 331.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole is sourced from PubChem (CID 10568477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).