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

C10H3ClF3N3OS — CID 18460043

IUPAC5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole
SMILESFC(F)(F)c1cc2c(Cl)nc(-c3ccno3)nc2s1
InChIInChI=1S/C10H3ClF3N3OS/c11-7-4-3-6(10(12,13)14)19-9(4)17-8(16-7)5-1-2-15-18-5/h1-3H
InChIKeyQHFRZUWIJCIJFY-UHFFFAOYSA-N
MW305.67 g/mol
LogP4.02
Rot. Bonds1

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

5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole (PubChem CID 18460043) has the molecular formula C10H3ClF3N3OS and a molecular weight of 305.67 g/mol. Its IUPAC name is 5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole
PubChem CID18460043
Molecular FormulaC10H3ClF3N3OS
Molecular Weight305.67 g/mol
Exact Mass304.96
IUPAC Name5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole
SMILESFC(F)(F)c1cc2c(Cl)nc(-c3ccno3)nc2s1
InChIInChI=1S/C10H3ClF3N3OS/c11-7-4-3-6(10(12,13)14)19-9(4)17-8(16-7)5-1-2-15-18-5/h1-3H
InChIKeyQHFRZUWIJCIJFY-UHFFFAOYSA-N
XLogP4.02
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.67
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Isoxazol-5-yl)-4-(4-fluorobenzylamino)-6-chloro-thieno-[2,3-d]-pyrimidine
CID 18459919
2-(Isoxazol-5-yl)-4-(4-fluorobenzylamino)-5-chloro-6-methyl-thieno-[2,3-d]-pyrimidine
CID 18460119
2-(Isoxazol-5-yl)-4-(4-fluorobenzylamino)-6-methyl-thieno-[2,3-d]-pyrimidine
CID 18460172
2(Isoxazol-5-yl)-4-(3,4-dichlorobenzylamino)-6-trifluoromethyl-thieno-[2,3-d]-pyrimidine
CID 18460252
2-(Isoxazol-5-yl)-4-phenethylamino-6-trifluoromethyl-thieno-[2,3-d]-pyrimidine
CID 18460320
2-(Isoxazol-5-yl)-4-(4-fluorobenzylamino)-6-nitro-thieno-[2,3-d]-pyrimidine
CID 18460354
2-(Isoxazol-5-yl)-4-(4-fluorobenzylamino)-5,6-dimethyl-thieno-[2,3-d]-pyrimidine
CID 18460384
2-(Isoxazol-5-yl)4-(4-fluorobenzylamino)-6-trifluoromethyl-thieno-[2,3-d]-pyrimidine
CID 18460455
2-(Isoxazol-5-yl)-4-benzylamino-6-trifluoromethyl-thieno-[2,3-d]-pyrimidine
CID 18460477
2-(Isoxazol-5-yl)-4-(4-fluorobenzylamino)-6-ethyl-thieno-[2,3-d]-pyrimidine
CID 18460534
5-[4-Chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole;ethyl 2-amino-5-(trifluoromethyl)thiophene-3-carboxylate
CID 158354928
5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole;N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 161163352

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole (CID 18460043) is 5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole is FC(F)(F)c1cc2c(Cl)nc(-c3ccno3)nc2s1.
What is the InChIKey of 5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole?
The InChIKey is QHFRZUWIJCIJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF3N3OS/c11-7-4-3-6(10(12,13)14)19-9(4)17-8(16-7)5-1-2-15-18-5/h1-3H.
What are the key properties of 5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole?
5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole has a molecular weight of 305.67 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 18460043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).