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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Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
3,5-dimethyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265089
2-(((3,5-Dimethylisoxazol-4-yl)methyl)(4-(2-oxo-2-((phenyl(p-tolyl)methyl)amino)ethyl)phenyl)amino)acetic acid
CID 71492999
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
5-benzyl-N-[(3S)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 127033642
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 898330
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
N-(3,5-dimethylphenyl)-N'-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]urea
CID 2738199
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509

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).