2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole

C23H17F2NO3S — CID 160790118

IUPAC2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(CS(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C23H17F2NO3S/c1-15-5-8-18(23-26-11-12-29-23)13-19(15)17-9-6-16(7-10-17)14-30(27,28)22-20(24)3-2-4-21(22)25/h2-13H,14H2,1H3
InChIKeySBSLZJFNVIMXNN-UHFFFAOYSA-N
MW425.46 g/mol
LogP5.57
Rot. Bonds5

About 2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole

2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole (PubChem CID 160790118) has the molecular formula C23H17F2NO3S and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole
PubChem CID160790118
Molecular FormulaC23H17F2NO3S
Molecular Weight425.46 g/mol
Exact Mass425.09
IUPAC Name2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(CS(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C23H17F2NO3S/c1-15-5-8-18(23-26-11-12-29-23)13-19(15)17-9-6-16(7-10-17)14-30(27,28)22-20(24)3-2-4-21(22)25/h2-13H,14H2,1H3
InChIKeySBSLZJFNVIMXNN-UHFFFAOYSA-N
XLogP5.57
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole?
The IUPAC name of 2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole (CID 160790118) is 2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole.
What is the SMILES notation for 2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole?
The canonical SMILES for 2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole is Cc1ccc(-c2ncco2)cc1-c1ccc(CS(=O)(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole?
The InChIKey is SBSLZJFNVIMXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO3S/c1-15-5-8-18(23-26-11-12-29-23)13-19(15)17-9-6-16(7-10-17)14-30(27,28)22-20(24)3-2-4-21(22)25/h2-13H,14H2,1H3.
What are the key properties of 2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole?
2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole has a molecular weight of 425.46 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(2,6-difluorophenyl)sulfonylmethyl]phenyl]-4-methylphenyl]-1,3-oxazole is sourced from PubChem (CID 160790118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).