2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

C17H15N3O2 — CID 27211449

IUPAC2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESCc1ccccc1-c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C17H15N3O2/c1-12-7-5-6-10-14(12)17-19-15(20-22-17)11-16(21)18-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,18,21)
InChIKeyVSPYHHYQGLPRKY-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.23
Rot. Bonds4

About 2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (PubChem CID 27211449) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
PubChem CID27211449
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESCc1ccccc1-c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C17H15N3O2/c1-12-7-5-6-10-14(12)17-19-15(20-22-17)11-16(21)18-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,18,21)
InChIKeyVSPYHHYQGLPRKY-UHFFFAOYSA-N
XLogP3.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 4998664
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211491
2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 146094614
2-(4-methoxyphenyl)-N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3425643
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838525
N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120838621
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride
CID 120873237
N-benzyl-2-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 75494074
2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838572

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (CID 27211449) is 2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is Cc1ccccc1-c1nc(CC(=O)Nc2ccccc2)no1.
What is the InChIKey of 2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The InChIKey is VSPYHHYQGLPRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-7-5-6-10-14(12)17-19-15(20-22-17)11-16(21)18-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of 2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide has a molecular weight of 293.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 27211449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).