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

C18H16FN3O2 — CID 7597012

IUPAC2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(-c3ccc(F)cc3)o2)c(C)c1
InChIInChI=1S/C18H16FN3O2/c1-11-3-4-14(12(2)9-11)10-16(23)20-18-22-21-17(24-18)13-5-7-15(19)8-6-13/h3-9H,10H2,1-2H3,(H,20,22,23)
InChIKeyPHYNKGXBGIFTJZ-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.67
Rot. Bonds4

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

2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 7597012) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID7597012
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(-c3ccc(F)cc3)o2)c(C)c1
InChIInChI=1S/C18H16FN3O2/c1-11-3-4-14(12(2)9-11)10-16(23)20-18-22-21-17(24-18)13-5-7-15(19)8-6-13/h3-9H,10H2,1-2H3,(H,20,22,23)
InChIKeyPHYNKGXBGIFTJZ-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 2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 7597012) is 2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccc(CC(=O)Nc2nnc(-c3ccc(F)cc3)o2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is PHYNKGXBGIFTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-3-4-14(12(2)9-11)10-16(23)20-18-22-21-17(24-18)13-5-7-15(19)8-6-13/h3-9H,10H2,1-2H3,(H,20,22,23).
What are the key properties of 2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]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 2-(2,4-dimethylphenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 7597012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).