2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole

C18H15F3N2OS — CID 24675149

IUPAC2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CSc3ccc(C(F)(F)F)cn3)co2)c(C)c1
InChIInChI=1S/C18H15F3N2OS/c1-11-3-5-15(12(2)7-11)17-23-14(9-24-17)10-25-16-6-4-13(8-22-16)18(19,20)21/h3-9H,10H2,1-2H3
InChIKeyMMCXPVIGXHZFFX-UHFFFAOYSA-N
MW364.39 g/mol
LogP5.66
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole

2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole (PubChem CID 24675149) has the molecular formula C18H15F3N2OS and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole
PubChem CID24675149
Molecular FormulaC18H15F3N2OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC Name2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CSc3ccc(C(F)(F)F)cn3)co2)c(C)c1
InChIInChI=1S/C18H15F3N2OS/c1-11-3-5-15(12(2)7-11)17-23-14(9-24-17)10-25-16-6-4-13(8-22-16)18(19,20)21/h3-9H,10H2,1-2H3
InChIKeyMMCXPVIGXHZFFX-UHFFFAOYSA-N
XLogP5.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.39
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole (CID 24675149) is 2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole is Cc1ccc(-c2nc(CSc3ccc(C(F)(F)F)cn3)co2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole?
The InChIKey is MMCXPVIGXHZFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2OS/c1-11-3-5-15(12(2)7-11)17-23-14(9-24-17)10-25-16-6-4-13(8-22-16)18(19,20)21/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole?
2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole has a molecular weight of 364.39 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 24675149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).