N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide

C25H23N3O2 — CID 43973925

IUPACN-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide
SMILESCCc1ccc(Cc2nnc(NC(=O)Cc3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C25H23N3O2/c1-2-18-8-10-20(11-9-18)17-24-27-28-25(30-24)26-23(29)16-19-12-14-22(15-13-19)21-6-4-3-5-7-21/h3-15H,2,16-17H2,1H3,(H,26,28,29)
InChIKeyDKQGMPMXBFPYCP-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.07
Rot. Bonds7

About N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide

N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide (PubChem CID 43973925) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide
PubChem CID43973925
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide
SMILESCCc1ccc(Cc2nnc(NC(=O)Cc3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C25H23N3O2/c1-2-18-8-10-20(11-9-18)17-24-27-28-25(30-24)26-23(29)16-19-12-14-22(15-13-19)21-6-4-3-5-7-21/h3-15H,2,16-17H2,1H3,(H,26,28,29)
InChIKeyDKQGMPMXBFPYCP-UHFFFAOYSA-N
XLogP5.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973334
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 43973784
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 16917468
2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974889
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanamide
CID 43973771
2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974150
4-acetyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973731
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16917816
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 43973201
4-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973708
methyl 4-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973752
3-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973710

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide (CID 43973925) is N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide is CCc1ccc(Cc2nnc(NC(=O)Cc3ccc(-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide?
The InChIKey is DKQGMPMXBFPYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-18-8-10-20(11-9-18)17-24-27-28-25(30-24)26-23(29)16-19-12-14-22(15-13-19)21-6-4-3-5-7-21/h3-15H,2,16-17H2,1H3,(H,26,28,29).
What are the key properties of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide?
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 43973925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).