2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide

C24H21FN4O2 — CID 67196038

IUPAC2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2onc(-c3ccc(F)c(C)c3)c2-c2ccncn2)c1
InChIInChI=1S/C24H21FN4O2/c1-14-4-5-15(2)18(10-14)12-21(30)28-24-22(20-8-9-26-13-27-20)23(29-31-24)17-6-7-19(25)16(3)11-17/h4-11,13H,12H2,1-3H3,(H,28,30)
InChIKeyWKPNKIYBEABYAJ-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.04
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide

2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67196038) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID67196038
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2onc(-c3ccc(F)c(C)c3)c2-c2ccncn2)c1
InChIInChI=1S/C24H21FN4O2/c1-14-4-5-15(2)18(10-14)12-21(30)28-24-22(20-8-9-26-13-27-20)23(29-31-24)17-6-7-19(25)16(3)11-17/h4-11,13H,12H2,1-3H3,(H,28,30)
InChIKeyWKPNKIYBEABYAJ-UHFFFAOYSA-N
XLogP5.04
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69498283
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide
CID 67197551
2-(2,5-dimethoxyphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198800
2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69498294
N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide
CID 67194634
2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide
CID 67200807
2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 57417708
2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67194633
2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874
2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 67196351
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide
CID 67198919
N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 67198100

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67196038) is 2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is Cc1ccc(C)c(CC(=O)Nc2onc(-c3ccc(F)c(C)c3)c2-c2ccncn2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is WKPNKIYBEABYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-14-4-5-15(2)18(10-14)12-21(30)28-24-22(20-8-9-26-13-27-20)23(29-31-24)17-6-7-19(25)16(3)11-17/h4-11,13H,12H2,1-3H3,(H,28,30).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 416.46 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67196038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).