N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C19H24N4O4S — CID 8964257

IUPACN-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCOc1ccc(-c2noc(CCCCCNC(=O)CN3CCSC3=O)n2)cc1
InChIInChI=1S/C19H24N4O4S/c1-26-15-8-6-14(7-9-15)18-21-17(27-22-18)5-3-2-4-10-20-16(24)13-23-11-12-28-19(23)25/h6-9H,2-5,10-13H2,1H3,(H,20,24)
InChIKeyVCAVLBJZCHHODF-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.74
Rot. Bonds10

About N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 8964257) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID8964257
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCOc1ccc(-c2noc(CCCCCNC(=O)CN3CCSC3=O)n2)cc1
InChIInChI=1S/C19H24N4O4S/c1-26-15-8-6-14(7-9-15)18-21-17(27-22-18)5-3-2-4-10-20-16(24)13-23-11-12-28-19(23)25/h6-9H,2-5,10-13H2,1H3,(H,20,24)
InChIKeyVCAVLBJZCHHODF-UHFFFAOYSA-N
XLogP2.74
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395
4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 55742496
N-[3-(azepan-1-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851549
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 47889008
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55751256
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide
CID 11923534
N-(4-acetamidobutyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110609812
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide
CID 41365420
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 55919632
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 2028921
N-tert-butyl-2-[[N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111384743

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 8964257) is N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is COc1ccc(-c2noc(CCCCCNC(=O)CN3CCSC3=O)n2)cc1.
What is the InChIKey of N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is VCAVLBJZCHHODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-26-15-8-6-14(7-9-15)18-21-17(27-22-18)5-3-2-4-10-20-16(24)13-23-11-12-28-19(23)25/h6-9H,2-5,10-13H2,1H3,(H,20,24).
What are the key properties of N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 404.49 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 8964257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).