N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C25H26N4O4 — CID 43070312

IUPACN-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(-c2noc(CCCCCNC(=O)C(=O)c3c(C)[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C25H26N4O4/c1-16-22(19-8-5-6-9-20(19)27-16)23(30)25(31)26-15-7-3-4-10-21-28-24(29-33-21)17-11-13-18(32-2)14-12-17/h5-6,8-9,11-14,27H,3-4,7,10,15H2,1-2H3,(H,26,31)
InChIKeyZRMITJGGTDECET-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.25
Rot. Bonds10

About N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 43070312) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID43070312
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(-c2noc(CCCCCNC(=O)C(=O)c3c(C)[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C25H26N4O4/c1-16-22(19-8-5-6-9-20(19)27-16)23(30)25(31)26-15-7-3-4-10-21-28-24(29-33-21)17-11-13-18(32-2)14-12-17/h5-6,8-9,11-14,27H,3-4,7,10,15H2,1-2H3,(H,26,31)
InChIKeyZRMITJGGTDECET-UHFFFAOYSA-N
XLogP4.25
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide
CID 41365420
1-benzyl-3-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylguanidine
CID 110952976
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 51064588
4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8964257
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18137274
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
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55751256
2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110324222
N-tert-butyl-2-[[N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111384743
(2S)-3-(1H-indol-3-yl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]propanoic acid
CID 97233892

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 43070312) is N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is COc1ccc(-c2noc(CCCCCNC(=O)C(=O)c3c(C)[nH]c4ccccc34)n2)cc1.
What is the InChIKey of N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is ZRMITJGGTDECET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-16-22(19-8-5-6-9-20(19)27-16)23(30)25(31)26-15-7-3-4-10-21-28-24(29-33-21)17-11-13-18(32-2)14-12-17/h5-6,8-9,11-14,27H,3-4,7,10,15H2,1-2H3,(H,26,31).
What are the key properties of N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 446.51 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 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-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 43070312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).