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

C24H21N3O2 — CID 30708165

IUPACN-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1
InChIInChI=1S/C24H21N3O2/c1-15-5-4-6-20(12-15)24-27-26-23(29-24)19-9-7-18(8-10-19)22(28)25-21-13-16(2)11-17(3)14-21/h4-14H,1-3H3,(H,25,28)
InChIKeyDMMAKNUWBMSCBK-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.58
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 30708165) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID30708165
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1
InChIInChI=1S/C24H21N3O2/c1-15-5-4-6-20(12-15)24-27-26-23(29-24)19-9-7-18(8-10-19)22(28)25-21-13-16(2)11-17(3)14-21/h4-14H,1-3H3,(H,25,28)
InChIKeyDMMAKNUWBMSCBK-UHFFFAOYSA-N
XLogP5.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708774
N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55820403
N-(3-methylbutan-2-yl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43048902
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55702942
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
CID 17171702
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46466143
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55672183
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 38040917
5-bromo-N'-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]thiophene-2-carbohydrazide
CID 38035727
N-(2-methyl-5-nitrophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55537251
1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide
CID 55659481

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 30708165) is N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1cc(C)cc(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is DMMAKNUWBMSCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-15-5-4-6-20(12-15)24-27-26-23(29-24)19-9-7-18(8-10-19)22(28)25-21-13-16(2)11-17(3)14-21/h4-14H,1-3H3,(H,25,28).
What are the key properties of N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 30708165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).