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

C21H14ClFN4O2 — CID 11640137

IUPAC2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C21H14ClFN4O2/c22-16-4-2-1-3-14(16)11-18(28)26-21-19(17-9-10-24-12-25-17)20(27-29-21)13-5-7-15(23)8-6-13/h1-10,12H,11H2,(H,26,28)
InChIKeyJZLOFCLTDFXBCB-UHFFFAOYSA-N
MW408.82 g/mol
LogP4.77
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 11640137) has the molecular formula C21H14ClFN4O2 and a molecular weight of 408.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID11640137
Molecular FormulaC21H14ClFN4O2
Molecular Weight408.82 g/mol
Exact Mass408.08
IUPAC Name2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C21H14ClFN4O2/c22-16-4-2-1-3-14(16)11-18(28)26-21-19(17-9-10-24-12-25-17)20(27-29-21)13-5-7-15(23)8-6-13/h1-10,12H,11H2,(H,26,28)
InChIKeyJZLOFCLTDFXBCB-UHFFFAOYSA-N
XLogP4.77
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.82
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 11640137) is 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is O=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is JZLOFCLTDFXBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O2/c22-16-4-2-1-3-14(16)11-18(28)26-21-19(17-9-10-24-12-25-17)20(27-29-21)13-5-7-15(23)8-6-13/h1-10,12H,11H2,(H,26,28).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 408.82 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 11640137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).