4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole

C16H12FNO2S — CID 101110708

IUPAC4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole
SMILESCS(=O)c1ccc(-c2oncc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FNO2S/c1-21(19)14-8-4-12(5-9-14)16-15(10-18-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3
InChIKeyXBNDZGIOIPZRID-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.89
Rot. Bonds3

About 4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole

4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole (PubChem CID 101110708) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole
PubChem CID101110708
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole
SMILESCS(=O)c1ccc(-c2oncc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FNO2S/c1-21(19)14-8-4-12(5-9-14)16-15(10-18-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3
InChIKeyXBNDZGIOIPZRID-UHFFFAOYSA-N
XLogP3.89
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole
CID 101110710
5-(4-fluorophenyl)-4-phenyl-1,2-oxazole
CID 101110707
ethane;1-fluoro-4-methylsulfinylbenzene
CID 144882301
5-(4-fluorophenyl)-1,2-oxazol-4-amine
CID 82410181
5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene
CID 143063823
ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine
CID 145020058
8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
CID 144631410
5-(4-fluorophenyl)-2-[(4-methylsulfinylphenyl)methylsulfanyl]-4-pyridin-4-ylpyrimidine
CID 10873777
2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine
CID 57228575
2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 45030874
4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridin-1-ium
CID 45481534
5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
CID 110647364

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole (CID 101110708) is 4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole is CS(=O)c1ccc(-c2oncc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole?
The InChIKey is XBNDZGIOIPZRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c1-21(19)14-8-4-12(5-9-14)16-15(10-18-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole?
4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole has a molecular weight of 301.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole is sourced from PubChem (CID 101110708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).