N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide

C22H25N3O3 — CID 41365420

IUPACN-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide
SMILESCOc1ccc(-c2noc(CCCCCNC(=O)c3ccccc3C)n2)cc1
InChIInChI=1S/C22H25N3O3/c1-16-8-5-6-9-19(16)22(26)23-15-7-3-4-10-20-24-21(25-28-20)17-11-13-18(27-2)14-12-17/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,23,26)
InChIKeyYNJSMQFIQKODKL-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.20
Rot. Bonds9

About N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide

N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide (PubChem CID 41365420) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide
PubChem CID41365420
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide
SMILESCOc1ccc(-c2noc(CCCCCNC(=O)c3ccccc3C)n2)cc1
InChIInChI=1S/C22H25N3O3/c1-16-8-5-6-9-19(16)22(26)23-15-7-3-4-10-20-24-21(25-28-20)17-11-13-18(27-2)14-12-17/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,23,26)
InChIKeyYNJSMQFIQKODKL-UHFFFAOYSA-N
XLogP4.20
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4870909
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 51064588
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 43070312
3-methoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293645
1-benzyl-3-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylguanidine
CID 110952976
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395
2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110324222
N-(4-acetamidobutyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110609812
2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293648
2-iodo-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 50874673
N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide
CID 110630603
N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110411078

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide?
The IUPAC name of N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide (CID 41365420) is N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide.
What is the SMILES notation for N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide?
The canonical SMILES for N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide is COc1ccc(-c2noc(CCCCCNC(=O)c3ccccc3C)n2)cc1.
What is the InChIKey of N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide?
The InChIKey is YNJSMQFIQKODKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-8-5-6-9-19(16)22(26)23-15-7-3-4-10-20-24-21(25-28-20)17-11-13-18(27-2)14-12-17/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,23,26).
What are the key properties of N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide?
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide has a molecular weight of 379.46 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide is sourced from PubChem (CID 41365420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).