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

C9H6F3N3OS — CID 100705598

IUPAC4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
SMILESCc1coc(Sc2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H6F3N3OS/c1-5-4-16-8(14-5)17-7-13-3-2-6(15-7)9(10,11)12/h2-4H,1H3
InChIKeyRZKUGELQYMFJEL-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.94
Rot. Bonds2

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

4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole (PubChem CID 100705598) has the molecular formula C9H6F3N3OS and a molecular weight of 261.23 g/mol. Its IUPAC name is 4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
PubChem CID100705598
Molecular FormulaC9H6F3N3OS
Molecular Weight261.23 g/mol
Exact Mass261.02
IUPAC Name4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
SMILESCc1coc(Sc2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H6F3N3OS/c1-5-4-16-8(14-5)17-7-13-3-2-6(15-7)9(10,11)12/h2-4H,1H3
InChIKeyRZKUGELQYMFJEL-UHFFFAOYSA-N
XLogP2.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-Dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
CID 71943122
4-[[4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 86806801
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923411
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
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-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928405
2-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
CID 121588625
2-(5-Fluoropyrimidin-2-yl)sulfanyl-4-methyl-1,3-oxazole
CID 126775329
2-({1-[(1,3-Oxazol-4-yl)methyl]piperidin-4-yl}oxy)-4-(trifluoromethyl)pyrimidine
CID 145869028

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole?
The IUPAC name of 4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole (CID 100705598) is 4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole is Cc1coc(Sc2nccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole?
The InChIKey is RZKUGELQYMFJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3OS/c1-5-4-16-8(14-5)17-7-13-3-2-6(15-7)9(10,11)12/h2-4H,1H3.
What are the key properties of 4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole?
4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole has a molecular weight of 261.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole is sourced from PubChem (CID 100705598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).