2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide

C22H15F3N2O4S — CID 5013558

IUPAC2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C22H15F3N2O4S/c23-22(24,25)31-18-13-7-12-17(14-18)27-32(28,29)21-19(15-8-3-1-4-9-15)30-20(26-21)16-10-5-2-6-11-16/h1-14,27H
InChIKeyMTLCMDPOHPCKIO-UHFFFAOYSA-N
MW460.43 g/mol
LogP5.71
Rot. Bonds6

About 2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide

2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide (PubChem CID 5013558) has the molecular formula C22H15F3N2O4S and a molecular weight of 460.43 g/mol. Its IUPAC name is 2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound Name2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide
PubChem CID5013558
Molecular FormulaC22H15F3N2O4S
Molecular Weight460.43 g/mol
Exact Mass460.07
IUPAC Name2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C22H15F3N2O4S/c23-22(24,25)31-18-13-7-12-17(14-18)27-32(28,29)21-19(15-8-3-1-4-9-15)30-20(26-21)16-10-5-2-6-11-16/h1-14,27H
InChIKeyMTLCMDPOHPCKIO-UHFFFAOYSA-N
XLogP5.71
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.43
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide?
The IUPAC name of 2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide (CID 5013558) is 2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for 2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide?
The canonical SMILES for 2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide is O=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide?
The InChIKey is MTLCMDPOHPCKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O4S/c23-22(24,25)31-18-13-7-12-17(14-18)27-32(28,29)21-19(15-8-3-1-4-9-15)30-20(26-21)16-10-5-2-6-11-16/h1-14,27H.
What are the key properties of 2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide?
2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide has a molecular weight of 460.43 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 5013558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).