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

C22H15Cl2FN4O2 — CID 69498283

IUPAC2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1cc(-c2noc(NC(=O)Cc3cccc(Cl)c3Cl)c2-c2ccncn2)ccc1F
InChIInChI=1S/C22H15Cl2FN4O2/c1-12-9-14(5-6-16(12)25)21-19(17-7-8-26-11-27-17)22(31-29-21)28-18(30)10-13-3-2-4-15(23)20(13)24/h2-9,11H,10H2,1H3,(H,28,30)
InChIKeyMRACYMLKMHRJHT-UHFFFAOYSA-N
MW457.29 g/mol
LogP5.73
Rot. Bonds5

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

2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 69498283) has the molecular formula C22H15Cl2FN4O2 and a molecular weight of 457.29 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID69498283
Molecular FormulaC22H15Cl2FN4O2
Molecular Weight457.29 g/mol
Exact Mass456.06
IUPAC Name2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1cc(-c2noc(NC(=O)Cc3cccc(Cl)c3Cl)c2-c2ccncn2)ccc1F
InChIInChI=1S/C22H15Cl2FN4O2/c1-12-9-14(5-6-16(12)25)21-19(17-7-8-26-11-27-17)22(31-29-21)28-18(30)10-13-3-2-4-15(23)20(13)24/h2-9,11H,10H2,1H3,(H,28,30)
InChIKeyMRACYMLKMHRJHT-UHFFFAOYSA-N
XLogP5.73
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.29
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 69498283) is 2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is Cc1cc(-c2noc(NC(=O)Cc3cccc(Cl)c3Cl)c2-c2ccncn2)ccc1F.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is MRACYMLKMHRJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN4O2/c1-12-9-14(5-6-16(12)25)21-19(17-7-8-26-11-27-17)22(31-29-21)28-18(30)10-13-3-2-4-15(23)20(13)24/h2-9,11H,10H2,1H3,(H,28,30).
What are the key properties of 2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 457.29 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 69498283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).