5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide

C11H9FN2O3S — CID 140649788

IUPAC5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide
SMILESCS(=O)c1nc(C(N)=O)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C11H9FN2O3S/c1-18(16)11-14-8(10(13)15)9(17-11)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,15)
InChIKeyYRAVTNIFDHTSEY-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.32
Rot. Bonds3

About 5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide

5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide (PubChem CID 140649788) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide
PubChem CID140649788
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide
SMILESCS(=O)c1nc(C(N)=O)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C11H9FN2O3S/c1-18(16)11-14-8(10(13)15)9(17-11)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,15)
InChIKeyYRAVTNIFDHTSEY-UHFFFAOYSA-N
XLogP1.32
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfinyl-1,3-oxazole-4-carboxamide
CID 71262703
5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylic acid
CID 18700464
2-acetyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 90337835
5-(4-fluorophenyl)-2-(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid
CID 90337833
2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 91386099
2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide
CID 59587395
4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 11322035
5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole
CID 101110710
2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
CID 90888389
4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole
CID 101110708
2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 143993495
5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-amine
CID 114834344

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide (CID 140649788) is 5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide is CS(=O)c1nc(C(N)=O)c(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide?
The InChIKey is YRAVTNIFDHTSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c1-18(16)11-14-8(10(13)15)9(17-11)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,15).
What are the key properties of 5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide?
5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 140649788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).