2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole

C8H6FN3OS — CID 126775329

IUPAC2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2ncc(F)cn2)n1
InChIInChI=1S/C8H6FN3OS/c1-5-4-13-8(12-5)14-7-10-2-6(9)3-11-7/h2-4H,1H3
InChIKeyPHCATDWBEULHPH-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.06
Rot. Bonds2

About 2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole

2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole (PubChem CID 126775329) has the molecular formula C8H6FN3OS and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole
PubChem CID126775329
Molecular FormulaC8H6FN3OS
Molecular Weight211.22 g/mol
Exact Mass211.02
IUPAC Name2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2ncc(F)cn2)n1
InChIInChI=1S/C8H6FN3OS/c1-5-4-13-8(12-5)14-7-10-2-6(9)3-11-7/h2-4H,1H3
InChIKeyPHCATDWBEULHPH-UHFFFAOYSA-N
XLogP2.06
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole (CID 126775329) is 2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole is Cc1coc(Sc2ncc(F)cn2)n1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole?
The InChIKey is PHCATDWBEULHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3OS/c1-5-4-13-8(12-5)14-7-10-2-6(9)3-11-7/h2-4H,1H3.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole?
2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole has a molecular weight of 211.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 126775329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).