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

C25H23N3O2 — CID 43976657

IUPACN-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
SMILESCc1cc(C)cc(-c2nnc(NC(=O)CC(c3ccccc3)c3ccccc3)o2)c1
InChIInChI=1S/C25H23N3O2/c1-17-13-18(2)15-21(14-17)24-27-28-25(30-24)26-23(29)16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,22H,16H2,1-2H3,(H,26,28,29)
InChIKeyFTIULVWIRATNDB-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.51
Rot. Bonds6

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

N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide (PubChem CID 43976657) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
PubChem CID43976657
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
SMILESCc1cc(C)cc(-c2nnc(NC(=O)CC(c3ccccc3)c3ccccc3)o2)c1
InChIInChI=1S/C25H23N3O2/c1-17-13-18(2)15-21(14-17)24-27-28-25(30-24)26-23(29)16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,22H,16H2,1-2H3,(H,26,28,29)
InChIKeyFTIULVWIRATNDB-UHFFFAOYSA-N
XLogP5.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
CID 43976114
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 16854555
3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 46683441
2-(4-chlorophenoxy)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976699
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate
CID 7227751
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43976751
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43976618
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43976775
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997548
4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid
CID 91622666
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-methylpropanoate
CID 7782402

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide (CID 43976657) is N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide is Cc1cc(C)cc(-c2nnc(NC(=O)CC(c3ccccc3)c3ccccc3)o2)c1.
What is the InChIKey of N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide?
The InChIKey is FTIULVWIRATNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-13-18(2)15-21(14-17)24-27-28-25(30-24)26-23(29)16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,22H,16H2,1-2H3,(H,26,28,29).
What are the key properties of N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide?
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide has a molecular weight of 397.48 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 43976657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).