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

C21H21N3O2 — CID 50779132

IUPAC3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-2-14-9-11-18(12-10-14)22-20(25)17-8-4-7-16(13-17)19-23-21(26-24-19)15-5-3-6-15/h4,7-13,15H,2-3,5-6H2,1H3,(H,22,25)
InChIKeyMKUXRTMINMMSEX-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.82
Rot. Bonds5

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

3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide (PubChem CID 50779132) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
PubChem CID50779132
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-2-14-9-11-18(12-10-14)22-20(25)17-8-4-7-16(13-17)19-23-21(26-24-19)15-5-3-6-15/h4,7-13,15H,2-3,5-6H2,1H3,(H,22,25)
InChIKeyMKUXRTMINMMSEX-UHFFFAOYSA-N
XLogP4.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide
CID 50778913
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-(2,5-dimethoxyphenyl)benzamide
CID 50779005
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide
CID 53041769
2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 53041723
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-propylsulfonylbenzamide
CID 99812815
4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041787
2-[[3-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]methylamino]ethanesulfinic acid
CID 170082956
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 53041779

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide?
The IUPAC name of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide (CID 50779132) is 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1.
What is the InChIKey of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide?
The InChIKey is MKUXRTMINMMSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-14-9-11-18(12-10-14)22-20(25)17-8-4-7-16(13-17)19-23-21(26-24-19)15-5-3-6-15/h4,7-13,15H,2-3,5-6H2,1H3,(H,22,25).
What are the key properties of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide?
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide has a molecular weight of 347.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 50779132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).