N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide

C21H26ClN5O3 — CID 146088960

IUPACN-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
SMILESCC(C)(C)c1noc(CCCc2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)n1
InChIInChI=1S/C21H26ClN5O3/c1-20(2,3)18-23-15(29-26-18)10-7-11-16-24-19(27-30-16)21(4,5)25-17(28)13-8-6-9-14(22)12-13/h6,8-9,12H,7,10-11H2,1-5H3,(H,25,28)
InChIKeyGMAYQTKURZLRFH-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.24
Rot. Bonds7

About N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide

N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide (PubChem CID 146088960) has the molecular formula C21H26ClN5O3 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
PubChem CID146088960
Molecular FormulaC21H26ClN5O3
Molecular Weight431.92 g/mol
Exact Mass431.17
IUPAC NameN-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
SMILESCC(C)(C)c1noc(CCCc2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)n1
InChIInChI=1S/C21H26ClN5O3/c1-20(2,3)18-23-15(29-26-18)10-7-11-16-24-19(27-30-16)21(4,5)25-17(28)13-8-6-9-14(22)12-13/h6,8-9,12H,7,10-11H2,1-5H3,(H,25,28)
InChIKeyGMAYQTKURZLRFH-UHFFFAOYSA-N
XLogP4.24
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[5-[amino-(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
CID 120835013
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CID 128995742
3-chloro-N-[2-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride
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3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide
CID 49084815
3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride
CID 120834977
3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide
CID 55724183
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-fluorobenzamide
CID 51099069
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
(2,6-dichlorophenyl) 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoate
CID 86982394
3-bromo-N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoroaniline
CID 154683636
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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide?
The IUPAC name of N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide (CID 146088960) is N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide is CC(C)(C)c1noc(CCCc2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)n1.
What is the InChIKey of N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide?
The InChIKey is GMAYQTKURZLRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O3/c1-20(2,3)18-23-15(29-26-18)10-7-11-16-24-19(27-30-16)21(4,5)25-17(28)13-8-6-9-14(22)12-13/h6,8-9,12H,7,10-11H2,1-5H3,(H,25,28).
What are the key properties of N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide?
N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide has a molecular weight of 431.92 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide is sourced from PubChem (CID 146088960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).