5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole

C20H15FN2O3S2 — CID 22316677

IUPAC5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(-c3cscn3)cc2)c(-c2ccc(S(C)(=O)=O)c(F)c2)o1
InChIInChI=1S/C20H15FN2O3S2/c1-12-23-19(14-5-3-13(4-6-14)17-10-27-11-22-17)20(26-12)15-7-8-18(16(21)9-15)28(2,24)25/h3-11H,1-2H3
InChIKeyGCPSSRKWBGEUDU-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.98
Rot. Bonds4

About 5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole

5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole (PubChem CID 22316677) has the molecular formula C20H15FN2O3S2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole
PubChem CID22316677
Molecular FormulaC20H15FN2O3S2
Molecular Weight414.48 g/mol
Exact Mass414.05
IUPAC Name5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(-c3cscn3)cc2)c(-c2ccc(S(C)(=O)=O)c(F)c2)o1
InChIInChI=1S/C20H15FN2O3S2/c1-12-23-19(14-5-3-13(4-6-14)17-10-27-11-22-17)20(26-12)15-7-8-18(16(21)9-15)28(2,24)25/h3-11H,1-2H3
InChIKeyGCPSSRKWBGEUDU-UHFFFAOYSA-N
XLogP4.98
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole?
The IUPAC name of 5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole (CID 22316677) is 5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole?
The canonical SMILES for 5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole is Cc1nc(-c2ccc(-c3cscn3)cc2)c(-c2ccc(S(C)(=O)=O)c(F)c2)o1.
What is the InChIKey of 5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole?
The InChIKey is GCPSSRKWBGEUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S2/c1-12-23-19(14-5-3-13(4-6-14)17-10-27-11-22-17)20(26-12)15-7-8-18(16(21)9-15)28(2,24)25/h3-11H,1-2H3.
What are the key properties of 5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole?
5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole has a molecular weight of 414.48 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylsulfonylphenyl)-2-methyl-4-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazole is sourced from PubChem (CID 22316677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).