2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole

C7H4FN3OS — CID 106923340

IUPAC2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESFc1cc(Sc2ncco2)ncn1
InChIInChI=1S/C7H4FN3OS/c8-5-3-6(11-4-10-5)13-7-9-1-2-12-7/h1-4H
InChIKeyFVHAQQZFHWSURC-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.75
Rot. Bonds2

About 2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole

2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole (PubChem CID 106923340) has the molecular formula C7H4FN3OS and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
PubChem CID106923340
Molecular FormulaC7H4FN3OS
Molecular Weight197.19 g/mol
Exact Mass197.01
IUPAC Name2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESFc1cc(Sc2ncco2)ncn1
InChIInChI=1S/C7H4FN3OS/c8-5-3-6(11-4-10-5)13-7-9-1-2-12-7/h1-4H
InChIKeyFVHAQQZFHWSURC-UHFFFAOYSA-N
XLogP1.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923333
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923407
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923411
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923419
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923484
4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928204
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928238
5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928252
5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928253
6-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928260
6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928261
5-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928320

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole (CID 106923340) is 2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole is Fc1cc(Sc2ncco2)ncn1.
What is the InChIKey of 2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole?
The InChIKey is FVHAQQZFHWSURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3OS/c8-5-3-6(11-4-10-5)13-7-9-1-2-12-7/h1-4H.
What are the key properties of 2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole?
2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole has a molecular weight of 197.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 106923340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).