5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole

C23H18FNO3S — CID 71713720

IUPAC5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole
SMILESCS(=O)(=O)C(c1ccc(F)cc1)c1oc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H18FNO3S/c1-29(26,27)22(17-12-14-19(24)15-13-17)21-20(16-8-4-2-5-9-16)25-23(28-21)18-10-6-3-7-11-18/h2-15,22H,1H3
InChIKeyHKLWNZLUNWUMRL-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.28
Rot. Bonds5

About 5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole

5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole (PubChem CID 71713720) has the molecular formula C23H18FNO3S and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole
PubChem CID71713720
Molecular FormulaC23H18FNO3S
Molecular Weight407.47 g/mol
Exact Mass407.10
IUPAC Name5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole
SMILESCS(=O)(=O)C(c1ccc(F)cc1)c1oc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H18FNO3S/c1-29(26,27)22(17-12-14-19(24)15-13-17)21-20(16-8-4-2-5-9-16)25-23(28-21)18-10-6-3-7-11-18/h2-15,22H,1H3
InChIKeyHKLWNZLUNWUMRL-UHFFFAOYSA-N
XLogP5.28
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-methylsulfonylethyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 104517924
(1R)-1-(4-fluorophenyl)-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 94015415
N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 154811076
5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane
CID 159187156
5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2156995
5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole
CID 58119347
[(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane
CID 101004979
2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole
CID 4739110
sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride
CID 173080381
4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18515969
4-(4-fluorophenyl)sulfonyl-N,2-diphenyl-1,3-oxazol-5-amine
CID 18825550
2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 52527187

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole?
The IUPAC name of 5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole (CID 71713720) is 5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole.
What is the SMILES notation for 5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole?
The canonical SMILES for 5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole is CS(=O)(=O)C(c1ccc(F)cc1)c1oc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole?
The InChIKey is HKLWNZLUNWUMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3S/c1-29(26,27)22(17-12-14-19(24)15-13-17)21-20(16-8-4-2-5-9-16)25-23(28-21)18-10-6-3-7-11-18/h2-15,22H,1H3.
What are the key properties of 5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole?
5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole has a molecular weight of 407.47 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole is sourced from PubChem (CID 71713720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).