N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

C13H13N3O3 — CID 110677461

IUPACN-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2nc(C)no2)cc1
InChIInChI=1S/C13H13N3O3/c1-8(17)10-3-5-11(6-4-10)15-12(18)7-13-14-9(2)16-19-13/h3-6H,7H2,1-2H3,(H,15,18)
InChIKeyMUYBRXAQBVFIKM-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.76
Rot. Bonds4

About N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 110677461) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID110677461
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2nc(C)no2)cc1
InChIInChI=1S/C13H13N3O3/c1-8(17)10-3-5-11(6-4-10)15-12(18)7-13-14-9(2)16-19-13/h3-6H,7H2,1-2H3,(H,15,18)
InChIKeyMUYBRXAQBVFIKM-UHFFFAOYSA-N
XLogP1.76
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677484
2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride
CID 119322902
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
N-(4-acetylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60547348
N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806192
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide
CID 110677310
N-(4-acetylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 16765512
N-(4-acetylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109041036
N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110861160
N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890172
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea
CID 90562124

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (CID 110677461) is N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is CC(=O)c1ccc(NC(=O)Cc2nc(C)no2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is MUYBRXAQBVFIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8(17)10-3-5-11(6-4-10)15-12(18)7-13-14-9(2)16-19-13/h3-6H,7H2,1-2H3,(H,15,18).
What are the key properties of N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 259.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 110677461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).