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

C18H16FN3O3 — CID 9034226

IUPACN-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1
InChIInChI=1S/C18H16FN3O3/c1-11-3-4-12(2)15(9-11)20-16(23)10-22-18(24)25-17(21-22)13-5-7-14(19)8-6-13/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyOJHNJKKTRUAKAV-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.90
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (PubChem CID 9034226) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
PubChem CID9034226
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1
InChIInChI=1S/C18H16FN3O3/c1-11-3-4-12(2)15(9-11)20-16(23)10-22-18(24)25-17(21-22)13-5-7-14(19)8-6-13/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyOJHNJKKTRUAKAV-UHFFFAOYSA-N
XLogP2.90
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (CID 9034226) is N-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is Cc1ccc(C)c(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The InChIKey is OJHNJKKTRUAKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-11-3-4-12(2)15(9-11)20-16(23)10-22-18(24)25-17(21-22)13-5-7-14(19)8-6-13/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 9034226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).