2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole

C11H8ClF3N2OS — CID 106923518

IUPAC2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2cc(C(F)(F)F)cc(Cl)n2)oc1C
InChIInChI=1S/C11H8ClF3N2OS/c1-5-6(2)18-10(16-5)19-9-4-7(11(13,14)15)3-8(12)17-9/h3-4H,1-2H3
InChIKeyDGPIJKGHUFNZMC-UHFFFAOYSA-N
MW308.71 g/mol
LogP4.51
Rot. Bonds2

About 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 106923518) has the molecular formula C11H8ClF3N2OS and a molecular weight of 308.71 g/mol. Its IUPAC name is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole
PubChem CID106923518
Molecular FormulaC11H8ClF3N2OS
Molecular Weight308.71 g/mol
Exact Mass308.00
IUPAC Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2cc(C(F)(F)F)cc(Cl)n2)oc1C
InChIInChI=1S/C11H8ClF3N2OS/c1-5-6(2)18-10(16-5)19-9-4-7(11(13,14)15)3-8(12)17-9/h3-4H,1-2H3
InChIKeyDGPIJKGHUFNZMC-UHFFFAOYSA-N
XLogP4.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.71
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4,5-dimethyl-1,3-oxazole
CID 47393934
2-[(5-Chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 103738555
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922434
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 106922875
2-[[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole
CID 106923443
2-[(6-Fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923491
[2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106923778
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106928748
4,5-Dimethyl-2-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 108363098
2-[(6-Chloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole
CID 103520121
2-[(6-Chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
CID 103710782
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
CID 103823026

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole (CID 106923518) is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2cc(C(F)(F)F)cc(Cl)n2)oc1C.
What is the InChIKey of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is DGPIJKGHUFNZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2OS/c1-5-6(2)18-10(16-5)19-9-4-7(11(13,14)15)3-8(12)17-9/h3-4H,1-2H3.
What are the key properties of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole?
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 308.71 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106923518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).