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

C10H6ClF3N2OS — CID 106923443

IUPAC2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2cc(C(F)(F)F)cc(Cl)n2)n1
InChIInChI=1S/C10H6ClF3N2OS/c1-5-4-17-9(15-5)18-8-3-6(10(12,13)14)2-7(11)16-8/h2-4H,1H3
InChIKeyYUWCOFPTLNPBQT-UHFFFAOYSA-N
MW294.69 g/mol
LogP4.20
Rot. Bonds2

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

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole (PubChem CID 106923443) has the molecular formula C10H6ClF3N2OS and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole
PubChem CID106923443
Molecular FormulaC10H6ClF3N2OS
Molecular Weight294.69 g/mol
Exact Mass293.98
IUPAC Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2cc(C(F)(F)F)cc(Cl)n2)n1
InChIInChI=1S/C10H6ClF3N2OS/c1-5-4-17-9(15-5)18-8-3-6(10(12,13)14)2-7(11)16-8/h2-4H,1H3
InChIKeyYUWCOFPTLNPBQT-UHFFFAOYSA-N
XLogP4.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 54.20
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

4-Methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 103525453
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922395
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 106922838
2-[[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-oxazole
CID 106923364
2-[(6-Fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 106923415
2-[[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923518
[2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106923740
2-[(5-Chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 106924215
4-Methyl-2-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 108363096
6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
CID 113894306
2-[(3,6-Dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole
CID 103520114
2-[(6-Chloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole
CID 103520121

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole?
The IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole (CID 106923443) is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole is Cc1coc(Sc2cc(C(F)(F)F)cc(Cl)n2)n1.
What is the InChIKey of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole?
The InChIKey is YUWCOFPTLNPBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2OS/c1-5-4-17-9(15-5)18-8-3-6(10(12,13)14)2-7(11)16-8/h2-4H,1H3.
What are the key properties of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole?
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1,3-oxazole has a molecular weight of 294.69 g/mol, XLogP of 4.20, 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-methyl-1,3-oxazole is sourced from PubChem (CID 106923443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).