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

C16H10ClF3N2OS — CID 8850174

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole
SMILESFC(F)(F)c1cnc(SCc2ncc(-c3ccccc3)o2)c(Cl)c1
InChIInChI=1S/C16H10ClF3N2OS/c17-12-6-11(16(18,19)20)7-22-15(12)24-9-14-21-8-13(23-14)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyUPZJUWRGOSMKLD-UHFFFAOYSA-N
MW370.78 g/mol
LogP5.70
Rot. Bonds4

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

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole (PubChem CID 8850174) has the molecular formula C16H10ClF3N2OS and a molecular weight of 370.78 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole
PubChem CID8850174
Molecular FormulaC16H10ClF3N2OS
Molecular Weight370.78 g/mol
Exact Mass370.02
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole
SMILESFC(F)(F)c1cnc(SCc2ncc(-c3ccccc3)o2)c(Cl)c1
InChIInChI=1S/C16H10ClF3N2OS/c17-12-6-11(16(18,19)20)7-22-15(12)24-9-14-21-8-13(23-14)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyUPZJUWRGOSMKLD-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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Related Compounds

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 154794042
3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744944
3-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744942
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine;hydrochloride
CID 43810441
4-fluoro-2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]aniline
CID 79128334
2-fluoro-4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]aniline
CID 79130770
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]isoindole-1,3-dione
CID 8852189
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-2-ol
CID 86777244
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4-fluorobenzonitrile
CID 112806310
3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine
CID 1474303
2-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 172705383

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole (CID 8850174) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole is FC(F)(F)c1cnc(SCc2ncc(-c3ccccc3)o2)c(Cl)c1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole?
The InChIKey is UPZJUWRGOSMKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2OS/c17-12-6-11(16(18,19)20)7-22-15(12)24-9-14-21-8-13(23-14)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-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 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 8850174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).