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

C10H9FN2OS — CID 126789492

IUPAC2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(SCc2cncc(F)c2)n1
InChIInChI=1S/C10H9FN2OS/c1-7-5-14-10(13-7)15-6-8-2-9(11)4-12-3-8/h2-5H,6H2,1H3
InChIKeyFHGADGJMSXNINC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.81
Rot. Bonds3

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

2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole (PubChem CID 126789492) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole
PubChem CID126789492
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(SCc2cncc(F)c2)n1
InChIInChI=1S/C10H9FN2OS/c1-7-5-14-10(13-7)15-6-8-2-9(11)4-12-3-8/h2-5H,6H2,1H3
InChIKeyFHGADGJMSXNINC-UHFFFAOYSA-N
XLogP2.81
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-Methyl-4-oxazolyl)ethynyl]pyridine
CID 44407000
6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 100705565
(4-Ethyl-1,3-oxazol-2-yl)imino-methyl-oxo-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-lambda6-sulfane
CID 57554328
Methyl-[(4-methyl-1,3-oxazol-2-yl)imino]-oxo-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-lambda6-sulfane
CID 57554372
(4-Ethyl-5-methyl-1,3-oxazol-2-yl)-imino-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-lambda6-sulfane
CID 87142038
(4-Ethyl-1,3-oxazol-2-yl)-methylimino-oxo-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-lambda6-sulfane
CID 87142039
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine
CID 106921480
2-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922353
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-[(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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole?
The IUPAC name of 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole (CID 126789492) is 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole is Cc1coc(SCc2cncc(F)c2)n1.
What is the InChIKey of 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole?
The InChIKey is FHGADGJMSXNINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-7-5-14-10(13-7)15-6-8-2-9(11)4-12-3-8/h2-5H,6H2,1H3.
What are the key properties of 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole?
2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole has a molecular weight of 224.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 126789492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).