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

C8H6FN3OS — CID 106923419

IUPAC2-(6-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCC1=COC(=N1)SC2=NC=NC(=C2)F
InChIInChI=1S/C8H6FN3OS/c1-5-3-13-8(12-5)14-7-2-6(9)10-4-11-7/h2-4H,1H3
InChIKeyQKRDHFKHLOJWJS-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.20
Rot. Bonds2

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

2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (PubChem CID 106923419) has the molecular formula C8H6FN3OS and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(6-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
PubChem CID106923419
Molecular FormulaC8H6FN3OS
Molecular Weight211.22 g/mol
Exact Mass211.02
IUPAC Name2-(6-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCC1=COC(=N1)SC2=NC=NC(=C2)F
InChIInChI=1S/C8H6FN3OS/c1-5-3-13-8(12-5)14-7-2-6(9)10-4-11-7/h2-4H,1H3
InChIKeyQKRDHFKHLOJWJS-UHFFFAOYSA-N
XLogP2.20
TPSA77.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity197

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-Ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 100705614
2-(6-Fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923340
2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923413
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923484
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923488
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923496
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923555
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928405
N-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928434
5-fluoro-N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928448
5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928449
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928456

Frequently Asked Questions

What is the IUPAC name of 2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (CID 106923419) is 2-(6-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is CC1=COC(=N1)SC2=NC=NC(=C2)F.
What is the InChIKey of 2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The InChIKey is QKRDHFKHLOJWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3OS/c1-5-3-13-8(12-5)14-7-2-6(9)10-4-11-7/h2-4H,1H3.
What are the key properties of 2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole has a molecular weight of 211.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 106923419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).