5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole

C17H15F3N2O5S — CID 90732806

IUPAC5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole
SMILESCC1(c2ccc(OC(F)(F)F)cc2)C=C(Oc2ccc(S(C)(=O)=O)nc2)NO1
InChIInChI=1S/C17H15F3N2O5S/c1-16(11-3-5-12(6-4-11)26-17(18,19)20)9-14(22-27-16)25-13-7-8-15(21-10-13)28(2,23)24/h3-10,22H,1-2H3
InChIKeyWLHSFTVCRZZJOV-UHFFFAOYSA-N
MW416.38 g/mol
LogP3.05
Rot. Bonds5

About 5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole

5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole (PubChem CID 90732806) has the molecular formula C17H15F3N2O5S and a molecular weight of 416.38 g/mol. Its IUPAC name is 5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole
PubChem CID90732806
Molecular FormulaC17H15F3N2O5S
Molecular Weight416.38 g/mol
Exact Mass416.07
IUPAC Name5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole
SMILESCC1(c2ccc(OC(F)(F)F)cc2)C=C(Oc2ccc(S(C)(=O)=O)nc2)NO1
InChIInChI=1S/C17H15F3N2O5S/c1-16(11-3-5-12(6-4-11)26-17(18,19)20)9-14(22-27-16)25-13-7-8-15(21-10-13)28(2,23)24/h3-10,22H,1-2H3
InChIKeyWLHSFTVCRZZJOV-UHFFFAOYSA-N
XLogP3.05
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 90976855
5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 90970036
(5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole
CID 123388479
2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole
CID 90750191
(5S)-3-[(6-cyclopentylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole
CID 123975733
6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol
CID 58237043
2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline
CID 66725908
2-tert-butyl-3-methylsulfonyl-5-(trifluoromethoxy)pyridine
CID 171456693
N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 58126279
5-(4-butylphenoxy)-2-methylsulfonylpyridine
CID 163959552
N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 91554671
N-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 123616731

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole (CID 90732806) is 5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole is CC1(c2ccc(OC(F)(F)F)cc2)C=C(Oc2ccc(S(C)(=O)=O)nc2)NO1.
What is the InChIKey of 5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole?
The InChIKey is WLHSFTVCRZZJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O5S/c1-16(11-3-5-12(6-4-11)26-17(18,19)20)9-14(22-27-16)25-13-7-8-15(21-10-13)28(2,23)24/h3-10,22H,1-2H3.
What are the key properties of 5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole?
5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole has a molecular weight of 416.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole is sourced from PubChem (CID 90732806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).