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

C16H10ClF3N2OS — CID 112776134

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole
SMILESFC(F)(F)c1cnc(SCc2coc(-c3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C16H10ClF3N2OS/c17-13-6-11(16(18,19)20)7-21-15(13)24-9-12-8-23-14(22-12)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyAPWPJGFEPQVZTL-UHFFFAOYSA-N
MW370.78 g/mol
LogP5.70
Rot. Bonds4

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

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole (PubChem CID 112776134) has the molecular formula C16H10ClF3N2OS and a molecular weight of 370.78 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole
PubChem CID112776134
Molecular FormulaC16H10ClF3N2OS
Molecular Weight370.78 g/mol
Exact Mass370.02
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole
SMILESFC(F)(F)c1cnc(SCc2coc(-c3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C16H10ClF3N2OS/c17-13-6-11(16(18,19)20)7-21-15(13)24-9-12-8-23-14(22-12)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyAPWPJGFEPQVZTL-UHFFFAOYSA-N
XLogP5.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.78
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole (CID 112776134) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole is FC(F)(F)c1cnc(SCc2coc(-c3ccccc3)n2)c(Cl)c1.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole?
The InChIKey is APWPJGFEPQVZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2OS/c17-13-6-11(16(18,19)20)7-21-15(13)24-9-12-8-23-14(22-12)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole has a molecular weight of 370.78 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 112776134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).