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

C23H19FN4O2 — CID 67199939

IUPAC2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2onc(-c3ccc(F)cc3)c2-c2ccncn2)c1
InChIInChI=1S/C23H19FN4O2/c1-14-3-4-15(2)17(11-14)12-20(29)27-23-21(19-9-10-25-13-26-19)22(28-30-23)16-5-7-18(24)8-6-16/h3-11,13H,12H2,1-2H3,(H,27,29)
InChIKeyZWFVNKUZVUUGFK-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.74
Rot. Bonds5

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

2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67199939) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID67199939
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2onc(-c3ccc(F)cc3)c2-c2ccncn2)c1
InChIInChI=1S/C23H19FN4O2/c1-14-3-4-15(2)17(11-14)12-20(29)27-23-21(19-9-10-25-13-26-19)22(28-30-23)16-5-7-18(24)8-6-16/h3-11,13H,12H2,1-2H3,(H,27,29)
InChIKeyZWFVNKUZVUUGFK-UHFFFAOYSA-N
XLogP4.74
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Akp-001
CID 11626055
4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11654334
Trans-4-{[4-(5-Methyl-3-Phenyl-1,2-Oxazol-4-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 60138177
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
2-Pyrimidinamine, N-cyclohexyl-4-[3-phenyl-5-(1-piperidinylmethyl)-4-isoxazolyl]-
CID 10093433
2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11502801
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11640137
N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide
CID 17757086
2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874
6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329532

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67199939) is 2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is Cc1ccc(C)c(CC(=O)Nc2onc(-c3ccc(F)cc3)c2-c2ccncn2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is ZWFVNKUZVUUGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-14-3-4-15(2)17(11-14)12-20(29)27-23-21(19-9-10-25-13-26-19)22(28-30-23)16-5-7-18(24)8-6-16/h3-11,13H,12H2,1-2H3,(H,27,29).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 402.43 g/mol, XLogP of 4.74, 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-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67199939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).