2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole

C10H7ClF3N3OS — CID 106923489

IUPAC2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2cc(Cl)nc(C(F)(F)F)n2)oc1C
InChIInChI=1S/C10H7ClF3N3OS/c1-4-5(2)18-9(15-4)19-7-3-6(11)16-8(17-7)10(12,13)14/h3H,1-2H3
InChIKeyCEVHJUVWUQKOKF-UHFFFAOYSA-N
MW309.70 g/mol
LogP3.90
Rot. Bonds2

About 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole

2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole (PubChem CID 106923489) has the molecular formula C10H7ClF3N3OS and a molecular weight of 309.70 g/mol. Its IUPAC name is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
PubChem CID106923489
Molecular FormulaC10H7ClF3N3OS
Molecular Weight309.70 g/mol
Exact Mass309.00
IUPAC Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2cc(Cl)nc(C(F)(F)F)n2)oc1C
InChIInChI=1S/C10H7ClF3N3OS/c1-4-5(2)18-9(15-4)19-7-3-6(11)16-8(17-7)10(12,13)14/h3H,1-2H3
InChIKeyCEVHJUVWUQKOKF-UHFFFAOYSA-N
XLogP3.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923413
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
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928592
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928621
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928641
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928755
[6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106928876
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 113893655
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-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole (CID 106923489) is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2cc(Cl)nc(C(F)(F)F)n2)oc1C.
What is the InChIKey of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole?
The InChIKey is CEVHJUVWUQKOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3OS/c1-4-5(2)18-9(15-4)19-7-3-6(11)16-8(17-7)10(12,13)14/h3H,1-2H3.
What are the key properties of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole?
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole has a molecular weight of 309.70 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106923489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).