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

C22H17ClN4O2 — CID 11654334

IUPAC2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1cccc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)c1
InChIInChI=1S/C22H17ClN4O2/c1-14-5-4-7-16(11-14)21-20(18-9-10-24-13-25-18)22(29-27-21)26-19(28)12-15-6-2-3-8-17(15)23/h2-11,13H,12H2,1H3,(H,26,28)
InChIKeyBWJBUFSDWGGBFI-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.94
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 11654334) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID11654334
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCc1cccc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)c1
InChIInChI=1S/C22H17ClN4O2/c1-14-5-4-7-16(11-14)21-20(18-9-10-24-13-25-18)22(29-27-21)26-19(28)12-15-6-2-3-8-17(15)23/h2-11,13H,12H2,1H3,(H,26,28)
InChIKeyBWJBUFSDWGGBFI-UHFFFAOYSA-N
XLogP4.94
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.94
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-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 11654334) is 2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is Cc1cccc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is BWJBUFSDWGGBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c1-14-5-4-7-16(11-14)21-20(18-9-10-24-13-25-18)22(29-27-21)26-19(28)12-15-6-2-3-8-17(15)23/h2-11,13H,12H2,1H3,(H,26,28).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 404.86 g/mol, XLogP of 4.94, 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-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 11654334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).