4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C21H23N3O5 — CID 4168904

IUPAC4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3OC)o2)cc1
InChIInChI=1S/C21H23N3O5/c1-4-5-12-28-15-8-6-14(7-9-15)19(25)22-21-24-23-20(29-21)17-11-10-16(26-2)13-18(17)27-3/h6-11,13H,4-5,12H2,1-3H3,(H,22,24,25)
InChIKeyCPSZDMYTAVVIEW-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.18
Rot. Bonds9

About 4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4168904) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4168904
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3OC)o2)cc1
InChIInChI=1S/C21H23N3O5/c1-4-5-12-28-15-8-6-14(7-9-15)19(25)22-21-24-23-20(29-21)17-11-10-16(26-2)13-18(17)27-3/h6-11,13H,4-5,12H2,1-3H3,(H,22,24,25)
InChIKeyCPSZDMYTAVVIEW-UHFFFAOYSA-N
XLogP4.18
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655666
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848807
3-bromo-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4092895
3-butoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4525703
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959643
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719065
4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5054216
2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3402291
5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 4176864
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 4149199
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4053542

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4168904) is 4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3OC)o2)cc1.
What is the InChIKey of 4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is CPSZDMYTAVVIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-4-5-12-28-15-8-6-14(7-9-15)19(25)22-21-24-23-20(29-21)17-11-10-16(26-2)13-18(17)27-3/h6-11,13H,4-5,12H2,1-3H3,(H,22,24,25).
What are the key properties of 4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 397.43 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4168904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).