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

C8H3ClF3N3OS — CID 106923411

IUPAC2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
SMILESC1=COC(=N1)SC2=NC(=NC(=C2)C(F)(F)F)Cl
InChIInChI=1S/C8H3ClF3N3OS/c9-6-14-4(8(10,11)12)3-5(15-6)17-7-13-1-2-16-7/h1-3H
InChIKeyYRZANAIFRPXDHQ-UHFFFAOYSA-N
MW281.64 g/mol
LogP3.20
Rot. Bonds2

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

2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole (PubChem CID 106923411) has the molecular formula C8H3ClF3N3OS and a molecular weight of 281.64 g/mol. Its IUPAC name is 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
PubChem CID106923411
Molecular FormulaC8H3ClF3N3OS
Molecular Weight281.64 g/mol
Exact Mass280.96
IUPAC Name2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
SMILESC1=COC(=N1)SC2=NC(=NC(=C2)C(F)(F)F)Cl
InChIInChI=1S/C8H3ClF3N3OS/c9-6-14-4(8(10,11)12)3-5(15-6)17-7-13-1-2-16-7/h1-3H
InChIKeyYRZANAIFRPXDHQ-UHFFFAOYSA-N
XLogP3.20
TPSA77.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity271

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.64
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-Methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
CID 100705598
2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923333
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-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923488
4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928204
6-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928260
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928314
4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928315
N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928356
[4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106928783
2-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
CID 121588625

Frequently Asked Questions

What is the IUPAC name of 2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole?
The IUPAC name of 2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole (CID 106923411) is 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole?
The canonical SMILES for 2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole is C1=COC(=N1)SC2=NC(=NC(=C2)C(F)(F)F)Cl.
What is the InChIKey of 2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole?
The InChIKey is YRZANAIFRPXDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3N3OS/c9-6-14-4(8(10,11)12)3-5(15-6)17-7-13-1-2-16-7/h1-3H.
What are the key properties of 2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole?
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole has a molecular weight of 281.64 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole is sourced from PubChem (CID 106923411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).