2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole

C29H22FNO3S — CID 15463764

IUPAC2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2oc(C(c3ccccc3)c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C29H22FNO3S/c1-35(32,33)25-18-14-23(15-19-25)28-27(22-12-16-24(30)17-13-22)31-29(34-28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-19,26H,1H3
InChIKeyAHBUOZRNAYZSLC-UHFFFAOYSA-N
MW483.56 g/mol
LogP6.73
Rot. Bonds6

About 2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole

2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole (PubChem CID 15463764) has the molecular formula C29H22FNO3S and a molecular weight of 483.56 g/mol. Its IUPAC name is 2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
PubChem CID15463764
Molecular FormulaC29H22FNO3S
Molecular Weight483.56 g/mol
Exact Mass483.13
IUPAC Name2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2oc(C(c3ccccc3)c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C29H22FNO3S/c1-35(32,33)25-18-14-23(15-19-25)28-27(22-12-16-24(30)17-13-22)31-29(34-28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-19,26H,1H3
InChIKeyAHBUOZRNAYZSLC-UHFFFAOYSA-N
XLogP6.73
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.56
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(4-Methanesulfonyl-phenyl)-2-methyl-4-phenyl-oxazole
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5-(4-Methanesulfonyl-phenyl)-2-methyl-4-(5-methyl-thiophen-2-yl)-oxazole
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CID 10936484
2-Fluoro-4-[4-(4-fluoro-phenyl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole (CID 15463764) is 2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole is CS(=O)(=O)c1ccc(-c2oc(C(c3ccccc3)c3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The InChIKey is AHBUOZRNAYZSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FNO3S/c1-35(32,33)25-18-14-23(15-19-25)28-27(22-12-16-24(30)17-13-22)31-29(34-28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-19,26H,1H3.
What are the key properties of 2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole?
2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole has a molecular weight of 483.56 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 15463764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).