4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole

C9H4F4N2OS — CID 103525453

IUPAC4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
SMILESCc1coc(Sc2c(F)c(F)nc(F)c2F)n1
InChIInChI=1S/C9H4F4N2OS/c1-3-2-16-9(14-3)17-6-4(10)7(12)15-8(13)5(6)11/h2H,1H3
InChIKeyDYUOZENLKUIQSW-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.09
Rot. Bonds2

About 4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole

4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole (PubChem CID 103525453) has the molecular formula C9H4F4N2OS and a molecular weight of 264.20 g/mol. Its IUPAC name is 4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
PubChem CID103525453
Molecular FormulaC9H4F4N2OS
Molecular Weight264.20 g/mol
Exact Mass264.00
IUPAC Name4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
SMILESCc1coc(Sc2c(F)c(F)nc(F)c2F)n1
InChIInChI=1S/C9H4F4N2OS/c1-3-2-16-9(14-3)17-6-4(10)7(12)15-8(13)5(6)11/h2H,1H3
InChIKeyDYUOZENLKUIQSW-UHFFFAOYSA-N
XLogP3.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.09
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

4,5-Dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 103749776
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-Fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 106923415
2-[(2-Fluoro-4-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 106923441
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-[(2-Fluoro-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923517
[2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106923740
4-Methyl-2-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 108363096
4,5-Dimethyl-2-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 108363098
3,5-Difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-2-amine
CID 108371532

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
The IUPAC name of 4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole (CID 103525453) is 4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole is Cc1coc(Sc2c(F)c(F)nc(F)c2F)n1.
What is the InChIKey of 4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
The InChIKey is DYUOZENLKUIQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2OS/c1-3-2-16-9(14-3)17-6-4(10)7(12)15-8(13)5(6)11/h2H,1H3.
What are the key properties of 4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole has a molecular weight of 264.20 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole is sourced from PubChem (CID 103525453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).