N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C18H17N3O2 — CID 110693237

IUPACN-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(-c3nnc(C)o3)cc2)c1
InChIInChI=1S/C18H17N3O2/c1-11-4-5-12(2)16(10-11)19-17(22)14-6-8-15(9-7-14)18-21-20-13(3)23-18/h4-10H,1-3H3,(H,19,22)
InChIKeyCWVFTBKCXIRHKU-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.91
Rot. Bonds3

About N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 110693237) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID110693237
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(-c3nnc(C)o3)cc2)c1
InChIInChI=1S/C18H17N3O2/c1-11-4-5-12(2)16(10-11)19-17(22)14-6-8-15(9-7-14)18-21-20-13(3)23-18/h4-10H,1-3H3,(H,19,22)
InChIKeyCWVFTBKCXIRHKU-UHFFFAOYSA-N
XLogP3.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725536
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-propan-2-ylphenyl)benzamide
CID 110693245
N-(2-methyl-5-nitrophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55537251
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46466143
N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693289
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 1334018
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[2-(4-sulfamoylphenyl)phenyl]benzamide
CID 10118990
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688511

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 110693237) is N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1ccc(C)c(NC(=O)c2ccc(-c3nnc(C)o3)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is CWVFTBKCXIRHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-4-5-12(2)16(10-11)19-17(22)14-6-8-15(9-7-14)18-21-20-13(3)23-18/h4-10H,1-3H3,(H,19,22).
What are the key properties of N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 110693237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).