2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide

C19H16F3N3O2 — CID 43972518

IUPAC2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1C
InChIInChI=1S/C19H16F3N3O2/c1-11-3-4-13(9-12(11)2)10-16(26)23-18-25-24-17(27-18)14-5-7-15(8-6-14)19(20,21)22/h3-9H,10H2,1-2H3,(H,23,25,26)
InChIKeyVPUPXFFXWUYTGZ-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.55
Rot. Bonds4

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

2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43972518) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43972518
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1C
InChIInChI=1S/C19H16F3N3O2/c1-11-3-4-13(9-12(11)2)10-16(26)23-18-25-24-17(27-18)14-5-7-15(8-6-14)19(20,21)22/h3-9H,10H2,1-2H3,(H,23,25,26)
InChIKeyVPUPXFFXWUYTGZ-UHFFFAOYSA-N
XLogP4.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972505
2-(4-methylsulfanylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972500
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16854678
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethylphenyl)acetamide
CID 43973061
2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972336
2-(4-methoxy-3-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854865
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43972322
2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 16917815
1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
CID 43972328
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 11609085
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 43974430

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43972518) is 2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccc(CC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is VPUPXFFXWUYTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-11-3-4-13(9-12(11)2)10-16(26)23-18-25-24-17(27-18)14-5-7-15(8-6-14)19(20,21)22/h3-9H,10H2,1-2H3,(H,23,25,26).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 375.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43972518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).