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

C8H5ClFN3OS — CID 106923484

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2nc(Cl)ncc2F)n1
InChIInChI=1S/C8H5ClFN3OS/c1-4-3-14-8(12-4)15-6-5(10)2-11-7(9)13-6/h2-3H,1H3
InChIKeyPKMNLVWZFYWLTD-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.72
Rot. Bonds2

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

2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (PubChem CID 106923484) has the molecular formula C8H5ClFN3OS and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
PubChem CID106923484
Molecular FormulaC8H5ClFN3OS
Molecular Weight245.67 g/mol
Exact Mass244.98
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2nc(Cl)ncc2F)n1
InChIInChI=1S/C8H5ClFN3OS/c1-4-3-14-8(12-4)15-6-5(10)2-11-7(9)13-6/h2-3H,1H3
InChIKeyPKMNLVWZFYWLTD-UHFFFAOYSA-N
XLogP2.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923340
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923407
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923419
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
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
5-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928320
N-ethyl-5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928349
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
5-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928514

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (CID 106923484) is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is Cc1coc(Sc2nc(Cl)ncc2F)n1.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The InChIKey is PKMNLVWZFYWLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3OS/c1-4-3-14-8(12-4)15-6-5(10)2-11-7(9)13-6/h2-3H,1H3.
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole has a molecular weight of 245.67 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 106923484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).