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

C21H22ClN3O2 — CID 51064630

IUPAC4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C21H22ClN3O2/c1-21(2,3)16-8-4-15(5-9-16)20(26)23-13-12-18-24-19(25-27-18)14-6-10-17(22)11-7-14/h4-11H,12-13H2,1-3H3,(H,23,26)
InChIKeyAVEHNNUCYFQDHG-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.66
Rot. Bonds5

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

4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 51064630) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID51064630
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C21H22ClN3O2/c1-21(2,3)16-8-4-15(5-9-16)20(26)23-13-12-18-24-19(25-27-18)14-6-10-17(22)11-7-14/h4-11H,12-13H2,1-3H3,(H,23,26)
InChIKeyAVEHNNUCYFQDHG-UHFFFAOYSA-N
XLogP4.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 46300146
3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-3-carboxamide
CID 4898022
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83289765
5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide
CID 154807201
2-(4-chlorophenyl)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 86958001
(2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide
CID 119782360
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
CID 110294332
N-tert-butyl-2-[[N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111554731
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 17101446
4-methyl-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323732
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 2991645

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 51064630) is 4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is AVEHNNUCYFQDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-21(2,3)16-8-4-15(5-9-16)20(26)23-13-12-18-24-19(25-27-18)14-6-10-17(22)11-7-14/h4-11H,12-13H2,1-3H3,(H,23,26).
What are the key properties of 4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 383.88 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 51064630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).