N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C21H23N3O2 — CID 134030230

IUPACN-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-5-21(3,4)22-18(25)15-10-12-17(13-11-15)20-24-23-19(26-20)16-8-6-14(2)7-9-16/h6-13H,5H2,1-4H3,(H,22,25)
InChIKeyJTKWGMZMOXJHDS-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.63
Rot. Bonds5

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

N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 134030230) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID134030230
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-5-21(3,4)22-18(25)15-10-12-17(13-11-15)20-24-23-19(26-20)16-8-6-14(2)7-9-16/h6-13H,5H2,1-4H3,(H,22,25)
InChIKeyJTKWGMZMOXJHDS-UHFFFAOYSA-N
XLogP4.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide
CID 17495617
4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319544
3-iodo-N-(2-methylbutan-2-yl)-5-(4-methylphenyl)benzamide
CID 126572715
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 120667626
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854620
N-(3-carbamothioylpentan-3-yl)-4-methylbenzamide
CID 61121189
N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 78830320
2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide
CID 134031148
N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035076
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 78820801

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 134030230) is N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCC(C)(C)NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is JTKWGMZMOXJHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-5-21(3,4)22-18(25)15-10-12-17(13-11-15)20-24-23-19(26-20)16-8-6-14(2)7-9-16/h6-13H,5H2,1-4H3,(H,22,25).
What are the key properties of N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 134030230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).