4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one

C21H15FN2O4S — CID 24829378

IUPAC4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one
SMILESCc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C21H15FN2O4S/c1-14-2-8-18(9-3-14)29(26,27)24-20(16-10-12-23-13-11-16)19(21(25)28-24)15-4-6-17(22)7-5-15/h2-13H,1H3
InChIKeyHKTCLYICRKOUDN-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.85
Rot. Bonds4

About 4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one

4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one (PubChem CID 24829378) has the molecular formula C21H15FN2O4S and a molecular weight of 410.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one
PubChem CID24829378
Molecular FormulaC21H15FN2O4S
Molecular Weight410.43 g/mol
Exact Mass410.07
IUPAC Name4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one
SMILESCc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C21H15FN2O4S/c1-14-2-8-18(9-3-14)29(26,27)24-20(16-10-12-23-13-11-16)19(21(25)28-24)15-4-6-17(22)7-5-15/h2-13H,1H3
InChIKeyHKTCLYICRKOUDN-UHFFFAOYSA-N
XLogP3.85
TPSA82.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one?
The IUPAC name of 4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one (CID 24829378) is 4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one is Cc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccc(F)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one?
The InChIKey is HKTCLYICRKOUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4S/c1-14-2-8-18(9-3-14)29(26,27)24-20(16-10-12-23-13-11-16)19(21(25)28-24)15-4-6-17(22)7-5-15/h2-13H,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one?
4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one has a molecular weight of 410.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-1,2-oxazol-5-one is sourced from PubChem (CID 24829378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).