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

C9H7ClFN3OS — CID 106923555

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2nc(Cl)ncc2F)oc1C
InChIInChI=1S/C9H7ClFN3OS/c1-4-5(2)15-9(13-4)16-7-6(11)3-12-8(10)14-7/h3H,1-2H3
InChIKeyVCPMZYOBXAYWIM-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.03
Rot. Bonds2

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

2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (PubChem CID 106923555) has the molecular formula C9H7ClFN3OS and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
PubChem CID106923555
Molecular FormulaC9H7ClFN3OS
Molecular Weight259.69 g/mol
Exact Mass259.00
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2nc(Cl)ncc2F)oc1C
InChIInChI=1S/C9H7ClFN3OS/c1-4-5(2)15-9(13-4)16-7-6(11)3-12-8(10)14-7/h3H,1-2H3
InChIKeyVCPMZYOBXAYWIM-UHFFFAOYSA-N
XLogP3.03
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923496
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
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
CID 106928632
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-amine
CID 106928693
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 106928721
[5-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 106928815
[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoropyrimidin-2-yl]hydrazine
CID 106928866
N-ethyl-5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 113894301

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (CID 106923555) is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2nc(Cl)ncc2F)oc1C.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The InChIKey is VCPMZYOBXAYWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3OS/c1-4-5(2)15-9(13-4)16-7-6(11)3-12-8(10)14-7/h3H,1-2H3.
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole has a molecular weight of 259.69 g/mol, XLogP of 3.03, 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-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106923555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).