2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole

C9H6ClFN2OS — CID 106924215

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2ncc(Cl)cc2F)n1
InChIInChI=1S/C9H6ClFN2OS/c1-5-4-14-9(13-5)15-8-7(11)2-6(10)3-12-8/h2-4H,1H3
InChIKeyBODJXXCTFQHANB-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.32
Rot. Bonds2

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

2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole (PubChem CID 106924215) has the molecular formula C9H6ClFN2OS and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
PubChem CID106924215
Molecular FormulaC9H6ClFN2OS
Molecular Weight244.68 g/mol
Exact Mass243.99
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2ncc(Cl)cc2F)n1
InChIInChI=1S/C9H6ClFN2OS/c1-5-4-14-9(13-5)15-8-7(11)2-6(10)3-12-8/h2-4H,1H3
InChIKeyBODJXXCTFQHANB-UHFFFAOYSA-N
XLogP3.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 100705565
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-[(6-Fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 106923335
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-[(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-[(2-Fluoro-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923517
2-[(5-Chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 106924199
2-[(5-Bromo-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 108166536
4-Methyl-2-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 108363096

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole (CID 106924215) is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole is Cc1coc(Sc2ncc(Cl)cc2F)n1.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole?
The InChIKey is BODJXXCTFQHANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2OS/c1-5-4-14-9(13-5)15-8-7(11)2-6(10)3-12-8/h2-4H,1H3.
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole?
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole has a molecular weight of 244.68 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 106924215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).