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

C21H14Cl2N4O2 — CID 25005874

IUPAC2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(Cl)cc2)c1-c1ccncn1
InChIInChI=1S/C21H14Cl2N4O2/c22-15-7-5-13(6-8-15)20-19(17-9-10-24-12-25-17)21(29-27-20)26-18(28)11-14-3-1-2-4-16(14)23/h1-10,12H,11H2,(H,26,28)
InChIKeyAQMVNECEJJQRQJ-UHFFFAOYSA-N
MW425.28 g/mol
LogP5.29
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 25005874) has the molecular formula C21H14Cl2N4O2 and a molecular weight of 425.28 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID25005874
Molecular FormulaC21H14Cl2N4O2
Molecular Weight425.28 g/mol
Exact Mass424.05
IUPAC Name2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(Cl)cc2)c1-c1ccncn1
InChIInChI=1S/C21H14Cl2N4O2/c22-15-7-5-13(6-8-15)20-19(17-9-10-24-12-25-17)21(29-27-20)26-18(28)11-14-3-1-2-4-16(14)23/h1-10,12H,11H2,(H,26,28)
InChIKeyAQMVNECEJJQRQJ-UHFFFAOYSA-N
XLogP5.29
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.28
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67197839
N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide
CID 67194634
2-(2-chlorophenyl)-N-[3-(2-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198674
2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69498283
2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198283
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide
CID 67198919
N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 67198142
2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 67196351
2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide
CID 67200807
2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67194633
2-(2,3-difluorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69498294
2-(2,5-dimethylphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67196038

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 25005874) is 2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is O=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(Cl)cc2)c1-c1ccncn1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is AQMVNECEJJQRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O2/c22-15-7-5-13(6-8-15)20-19(17-9-10-24-12-25-17)21(29-27-20)26-18(28)11-14-3-1-2-4-16(14)23/h1-10,12H,11H2,(H,26,28).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 425.28 g/mol, XLogP of 5.29, 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-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 25005874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).