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

C22H16Cl2N4O2 — CID 67194634

IUPACN-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide
SMILESCc1cc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)ccc1Cl
InChIInChI=1S/C22H16Cl2N4O2/c1-13-10-15(6-7-16(13)23)21-20(18-8-9-25-12-26-18)22(30-28-21)27-19(29)11-14-4-2-3-5-17(14)24/h2-10,12H,11H2,1H3,(H,27,29)
InChIKeyXCJJKIZDGANVDL-UHFFFAOYSA-N
MW439.30 g/mol
LogP5.60
Rot. Bonds5

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

N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide (PubChem CID 67194634) has the molecular formula C22H16Cl2N4O2 and a molecular weight of 439.30 g/mol. Its IUPAC name is N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide
PubChem CID67194634
Molecular FormulaC22H16Cl2N4O2
Molecular Weight439.30 g/mol
Exact Mass438.07
IUPAC NameN-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide
SMILESCc1cc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)ccc1Cl
InChIInChI=1S/C22H16Cl2N4O2/c1-13-10-15(6-7-16(13)23)21-20(18-8-9-25-12-26-18)22(30-28-21)27-19(29)11-14-4-2-3-5-17(14)24/h2-10,12H,11H2,1H3,(H,27,29)
InChIKeyXCJJKIZDGANVDL-UHFFFAOYSA-N
XLogP5.60
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide (CID 67194634) is N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide is Cc1cc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)ccc1Cl.
What is the InChIKey of N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide?
The InChIKey is XCJJKIZDGANVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O2/c1-13-10-15(6-7-16(13)23)21-20(18-8-9-25-12-26-18)22(30-28-21)27-19(29)11-14-4-2-3-5-17(14)24/h2-10,12H,11H2,1H3,(H,27,29).
What are the key properties of N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide?
N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide has a molecular weight of 439.30 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 67194634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).