3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide

C21H21N3O3 — CID 2472081

IUPAC3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C21H21N3O3/c1-14-19(15(2)27-24-14)21(26)23-18-11-7-6-10-17(18)20(25)22-13-12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyJGLJPPVGCIYDIH-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.52
Rot. Bonds6

About 3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 2472081) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID2472081
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C21H21N3O3/c1-14-19(15(2)27-24-14)21(26)23-18-11-7-6-10-17(18)20(25)22-13-12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyJGLJPPVGCIYDIH-UHFFFAOYSA-N
XLogP3.52
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide (CID 2472081) is 3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is JGLJPPVGCIYDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-19(15(2)27-24-14)21(26)23-18-11-7-6-10-17(18)20(25)22-13-12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2472081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).