5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole

C17H13F2NO3S — CID 10154821

IUPAC5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C(F)F)cc1
InChIInChI=1S/C17H13F2NO3S/c1-24(21,22)13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)20-23-16(14)17(18)19/h2-10,17H,1H3
InChIKeyAPMIVVBYHLSFJD-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.35
Rot. Bonds4

About 5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole

5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole (PubChem CID 10154821) has the molecular formula C17H13F2NO3S and a molecular weight of 349.36 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
PubChem CID10154821
Molecular FormulaC17H13F2NO3S
Molecular Weight349.36 g/mol
Exact Mass349.06
IUPAC Name5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C(F)F)cc1
InChIInChI=1S/C17H13F2NO3S/c1-24(21,22)13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)20-23-16(14)17(18)19/h2-10,17H,1H3
InChIKeyAPMIVVBYHLSFJD-UHFFFAOYSA-N
XLogP4.35
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole?
The IUPAC name of 5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole (CID 10154821) is 5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole is CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C(F)F)cc1.
What is the InChIKey of 5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole?
The InChIKey is APMIVVBYHLSFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3S/c1-24(21,22)13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)20-23-16(14)17(18)19/h2-10,17H,1H3.
What are the key properties of 5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole?
5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole has a molecular weight of 349.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole is sourced from PubChem (CID 10154821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).