3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide

C21H21N3O4 — CID 50779005

IUPAC3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)c1
InChIInChI=1S/C21H21N3O4/c1-26-16-9-10-18(27-2)17(12-16)22-20(25)15-8-4-7-14(11-15)19-23-21(28-24-19)13-5-3-6-13/h4,7-13H,3,5-6H2,1-2H3,(H,22,25)
InChIKeySSEYCLPRSAEESF-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.27
Rot. Bonds6

About 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide

3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide (PubChem CID 50779005) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide
PubChem CID50779005
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)c1
InChIInChI=1S/C21H21N3O4/c1-26-16-9-10-18(27-2)17(12-16)22-20(25)15-8-4-7-14(11-15)19-23-21(28-24-19)13-5-3-6-13/h4,7-13H,3,5-6H2,1-2H3,(H,22,25)
InChIKeySSEYCLPRSAEESF-UHFFFAOYSA-N
XLogP4.27
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide
CID 50779088
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
CID 50779132
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 53041779
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 3989669
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 53041803
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide
CID 50778913
3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056122
N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 121095489

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide?
The IUPAC name of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide (CID 50779005) is 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide?
The canonical SMILES for 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide is COc1ccc(OC)c(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)c1.
What is the InChIKey of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide?
The InChIKey is SSEYCLPRSAEESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-16-9-10-18(27-2)17(12-16)22-20(25)15-8-4-7-14(11-15)19-23-21(28-24-19)13-5-3-6-13/h4,7-13H,3,5-6H2,1-2H3,(H,22,25).
What are the key properties of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide?
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 50779005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).