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

C15H17N3O4 — CID 146082832

IUPACN-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2c(C(C)C)noc2=O)c1
InChIInChI=1S/C15H17N3O4/c1-9(2)14-17-22-15(21)18(14)8-13(20)16-12-6-4-5-11(7-12)10(3)19/h4-7,9H,8H2,1-3H3,(H,16,20)
InChIKeyIRWHELBYWBBZDK-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.80
Rot. Bonds5

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

N-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 146082832) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID146082832
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2c(C(C)C)noc2=O)c1
InChIInChI=1S/C15H17N3O4/c1-9(2)14-17-22-15(21)18(14)8-13(20)16-12-6-4-5-11(7-12)10(3)19/h4-7,9H,8H2,1-3H3,(H,16,20)
InChIKeyIRWHELBYWBBZDK-UHFFFAOYSA-N
XLogP1.80
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]phenyl]propanamide
CID 1435028
N-(3-acetylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2711463
N-(3-acetylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 653605
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595727
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
N-(4-acetylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 51099628
N-(3-acetylphenyl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
CID 53091181
3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 108794871
N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9095755
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide
CID 46367536

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide (CID 146082832) is N-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide is CC(=O)c1cccc(NC(=O)Cn2c(C(C)C)noc2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is IRWHELBYWBBZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9(2)14-17-22-15(21)18(14)8-13(20)16-12-6-4-5-11(7-12)10(3)19/h4-7,9H,8H2,1-3H3,(H,16,20).
What are the key properties of N-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
N-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 303.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 146082832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).