2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide

C22H13Cl2F3N4O2S — CID 2745640

IUPAC2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H13Cl2F3N4O2S/c23-13-3-6-15(16(24)9-13)18-10-19(33-31-18)17-7-8-28-21(30-17)34-11-20(32)29-14-4-1-12(2-5-14)22(25,26)27/h1-10H,11H2,(H,29,32)
InChIKeyQECWOSUSNVKLGQ-UHFFFAOYSA-N
MW525.34 g/mol
LogP6.86
Rot. Bonds6

About 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide

2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 2745640) has the molecular formula C22H13Cl2F3N4O2S and a molecular weight of 525.34 g/mol. Its IUPAC name is 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID2745640
Molecular FormulaC22H13Cl2F3N4O2S
Molecular Weight525.34 g/mol
Exact Mass524.01
IUPAC Name2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H13Cl2F3N4O2S/c23-13-3-6-15(16(24)9-13)18-10-19(33-31-18)17-7-8-28-21(30-17)34-11-20(32)29-14-4-1-12(2-5-14)22(25,26)27/h1-10H,11H2,(H,29,32)
InChIKeyQECWOSUSNVKLGQ-UHFFFAOYSA-N
XLogP6.86
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.34
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide (CID 2745640) is 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QECWOSUSNVKLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2F3N4O2S/c23-13-3-6-15(16(24)9-13)18-10-19(33-31-18)17-7-8-28-21(30-17)34-11-20(32)29-14-4-1-12(2-5-14)22(25,26)27/h1-10H,11H2,(H,29,32).
What are the key properties of 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 525.34 g/mol, XLogP of 6.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2745640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).