N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide

C20H20N4O4 — CID 110630603

IUPACN-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide
SMILESCOc1ccc(-c2noc(CC(=O)NCCNC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O4/c1-27-16-9-7-14(8-10-16)19-23-18(28-24-19)13-17(25)21-11-12-22-20(26)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyJJQGGBHGEYVRGF-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.83
Rot. Bonds8

About N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide

N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide (PubChem CID 110630603) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide
PubChem CID110630603
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide
SMILESCOc1ccc(-c2noc(CC(=O)NCCNC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O4/c1-27-16-9-7-14(8-10-16)19-23-18(28-24-19)13-17(25)21-11-12-22-20(26)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyJJQGGBHGEYVRGF-UHFFFAOYSA-N
XLogP1.83
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110411078
N-(4-acetamidobutyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110609812
N-[2-(2-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51312188
3-methoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293645
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenoxyethoxy)acetamide
CID 110632975
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 51064588
2-chloro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4870909
2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110324222
4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825
N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38706011
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide
CID 6625938
N-(2-methoxyethyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762175

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide (CID 110630603) is N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide is COc1ccc(-c2noc(CC(=O)NCCNC(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide?
The InChIKey is JJQGGBHGEYVRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-27-16-9-7-14(8-10-16)19-23-18(28-24-19)13-17(25)21-11-12-22-20(26)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide?
N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide has a molecular weight of 380.40 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 110630603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).