2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole

C9H5ClF3N3OS — CID 106923413

IUPAC2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
SMILESCC1=COC(=N1)SC2=CC(=NC(=N2)C(F)(F)F)Cl
InChIInChI=1S/C9H5ClF3N3OS/c1-4-3-17-8(14-4)18-6-2-5(10)15-7(16-6)9(11,12)13/h2-3H,1H3
InChIKeyPFEVLQTYHSWHGZ-UHFFFAOYSA-N
MW295.67 g/mol
LogP3.60
Rot. Bonds2

About 2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole

2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole (PubChem CID 106923413) has the molecular formula C9H5ClF3N3OS and a molecular weight of 295.67 g/mol. Its IUPAC name is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
PubChem CID106923413
Molecular FormulaC9H5ClF3N3OS
Molecular Weight295.67 g/mol
Exact Mass294.98
IUPAC Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
SMILESCC1=COC(=N1)SC2=CC(=NC(=N2)C(F)(F)F)Cl
InChIInChI=1S/C9H5ClF3N3OS/c1-4-3-17-8(14-4)18-6-2-5(10)15-7(16-6)9(11,12)13/h2-3H,1H3
InChIKeyPFEVLQTYHSWHGZ-UHFFFAOYSA-N
XLogP3.60
TPSA77.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity297

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.67
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923419
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923488
2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923489
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
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928456
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928576
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928641
[6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106928825
6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 113894287
4-Chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 71943121
2-(6-Chloro-2-methylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 103525446

Frequently Asked Questions

What is the IUPAC name of 2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole (CID 106923413) is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole is CC1=COC(=N1)SC2=CC(=NC(=N2)C(F)(F)F)Cl.
What is the InChIKey of 2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole?
The InChIKey is PFEVLQTYHSWHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3OS/c1-4-3-17-8(14-4)18-6-2-5(10)15-7(16-6)9(11,12)13/h2-3H,1H3.
What are the key properties of 2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole?
2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole has a molecular weight of 295.67 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 106923413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).