N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide

C16H17N5O4 — CID 134699772

IUPACN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nonc1NC(C)=O)N1Cc2ccccc2C1=O
InChIInChI=1S/C16H17N5O4/c1-3-12(21-8-10-6-4-5-7-11(10)16(21)24)15(23)18-14-13(17-9(2)22)19-25-20-14/h4-7,12H,3,8H2,1-2H3,(H,17,19,22)(H,18,20,23)
InChIKeyIWWFSYNCWMIPQE-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.40
Rot. Bonds5

About N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide

N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide (PubChem CID 134699772) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide
PubChem CID134699772
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nonc1NC(C)=O)N1Cc2ccccc2C1=O
InChIInChI=1S/C16H17N5O4/c1-3-12(21-8-10-6-4-5-7-11(10)16(21)24)15(23)18-14-13(17-9(2)22)19-25-20-14/h4-7,12H,3,8H2,1-2H3,(H,17,19,22)(H,18,20,23)
InChIKeyIWWFSYNCWMIPQE-UHFFFAOYSA-N
XLogP1.40
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 50757779
(2S)-N-(4-acetamidophenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688818
(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92742007
2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide
CID 74234179
2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 131922833
2-butan-2-yl-3H-isoindol-1-one;ethane
CID 177036147
(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 131932528
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide
CID 96575320
ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 92688583
N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905754
ethane;ethyl 4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoate
CID 153352723

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide (CID 134699772) is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide.
What is the SMILES notation for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The canonical SMILES for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide is CCC(C(=O)Nc1nonc1NC(C)=O)N1Cc2ccccc2C1=O.
What is the InChIKey of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The InChIKey is IWWFSYNCWMIPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-3-12(21-8-10-6-4-5-7-11(10)16(21)24)15(23)18-14-13(17-9(2)22)19-25-20-14/h4-7,12H,3,8H2,1-2H3,(H,17,19,22)(H,18,20,23).
What are the key properties of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide?
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide has a molecular weight of 343.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide is sourced from PubChem (CID 134699772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).