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

C18H16FN3O2 — CID 7597268

IUPACN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)Cc3ccc(F)cc3)o2)c1
InChIInChI=1S/C18H16FN3O2/c1-11-3-4-12(2)15(9-11)17-21-22-18(24-17)20-16(23)10-13-5-7-14(19)8-6-13/h3-9H,10H2,1-2H3,(H,20,22,23)
InChIKeyWCNWTHCLAWYGIA-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.67
Rot. Bonds4

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

N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 7597268) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID7597268
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)Cc3ccc(F)cc3)o2)c1
InChIInChI=1S/C18H16FN3O2/c1-11-3-4-12(2)15(9-11)17-21-22-18(24-17)20-16(23)10-13-5-7-14(19)8-6-13/h3-9H,10H2,1-2H3,(H,20,22,23)
InChIKeyWCNWTHCLAWYGIA-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide (CID 7597268) is N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide is Cc1ccc(C)c(-c2nnc(NC(=O)Cc3ccc(F)cc3)o2)c1.
What is the InChIKey of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is WCNWTHCLAWYGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-3-4-12(2)15(9-11)17-21-22-18(24-17)20-16(23)10-13-5-7-14(19)8-6-13/h3-9H,10H2,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 325.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7597268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).