4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide

C22H25N3O2 — CID 21078775

IUPAC4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1
InChIInChI=1S/C22H25N3O2/c1-5-6-15(3)23-21(26)18-11-9-17(10-12-18)20-13-19(8-7-14(20)2)22-25-24-16(4)27-22/h7-13,15H,5-6H2,1-4H3,(H,23,26)
InChIKeyUBGPCQSURWIDMH-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.94
Rot. Bonds6

About 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide (PubChem CID 21078775) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide
PubChem CID21078775
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1
InChIInChI=1S/C22H25N3O2/c1-5-6-15(3)23-21(26)18-11-9-17(10-12-18)20-13-19(8-7-14(20)2)22-25-24-16(4)27-22/h7-13,15H,5-6H2,1-4H3,(H,23,26)
InChIKeyUBGPCQSURWIDMH-UHFFFAOYSA-N
XLogP4.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078781
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078798
N-methyl-4-[[[4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl]amino]methyl]benzamide
CID 10225261
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoyl chloride;oxalyl dichloride
CID 86597648
N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentylbenzamide
CID 21078779
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 91150773
N-[2-(4-methoxyphenyl)ethyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10137354
N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10273164
N-(1-methoxypropan-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18289547
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[2-(4-sulfamoylphenyl)phenyl]benzamide
CID 10118990
4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic acid
CID 69320185
N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693237

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide?
The IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide (CID 21078775) is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide?
The canonical SMILES for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1.
What is the InChIKey of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide?
The InChIKey is UBGPCQSURWIDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-6-15(3)23-21(26)18-11-9-17(10-12-18)20-13-19(8-7-14(20)2)22-25-24-16(4)27-22/h7-13,15H,5-6H2,1-4H3,(H,23,26).
What are the key properties of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide?
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 21078775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).