N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide

C24H20ClN3O5 — CID 2013125

IUPACN-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCOc1cc(-c2noc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C24H20ClN3O5/c1-30-19-12-14(13-20(31-2)21(19)32-3)22-27-24(33-28-22)18-7-5-4-6-17(18)23(29)26-16-10-8-15(25)9-11-16/h4-13H,1-3H3,(H,26,29)
InChIKeyYBWJFYVBKCIHSS-UHFFFAOYSA-N
MW465.89 g/mol
LogP5.34
Rot. Bonds7

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

N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 2013125) has the molecular formula C24H20ClN3O5 and a molecular weight of 465.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID2013125
Molecular FormulaC24H20ClN3O5
Molecular Weight465.89 g/mol
Exact Mass465.11
IUPAC NameN-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCOc1cc(-c2noc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C24H20ClN3O5/c1-30-19-12-14(13-20(31-2)21(19)32-3)22-27-24(33-28-22)18-7-5-4-6-17(18)23(29)26-16-10-8-15(25)9-11-16/h4-13H,1-3H3,(H,26,29)
InChIKeyYBWJFYVBKCIHSS-UHFFFAOYSA-N
XLogP5.34
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.89
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propan-2-yl-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3159481
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 2016311
2-iodo-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 43903830
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3742791
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-cyanophenyl)benzamide
CID 46288596
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 3730602
pyrrolidin-1-yl-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 5133126
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
2-(2,4-dichlorophenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 43903836
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 3159477
N-(2-methoxy-5-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50764352
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 2013125) is N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is COc1cc(-c2noc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3)n2)cc(OC)c1OC.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is YBWJFYVBKCIHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O5/c1-30-19-12-14(13-20(31-2)21(19)32-3)22-27-24(33-28-22)18-7-5-4-6-17(18)23(29)26-16-10-8-15(25)9-11-16/h4-13H,1-3H3,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 465.89 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 2013125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).