N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide

C20H20FN3O3 — CID 1434967

IUPACN-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1c(-c2ccc(F)cc2)noc1=O
InChIInChI=1S/C20H20FN3O3/c1-3-13-6-5-7-14(4-2)18(13)22-17(25)12-24-19(23-27-20(24)26)15-8-10-16(21)11-9-15/h5-11H,3-4,12H2,1-2H3,(H,22,25)
InChIKeyVNCVPMOWGYCOBZ-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.41
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide

N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide (PubChem CID 1434967) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
PubChem CID1434967
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1c(-c2ccc(F)cc2)noc1=O
InChIInChI=1S/C20H20FN3O3/c1-3-13-6-5-7-14(4-2)18(13)22-17(25)12-24-19(23-27-20(24)26)15-8-10-16(21)11-9-15/h5-11H,3-4,12H2,1-2H3,(H,22,25)
InChIKeyVNCVPMOWGYCOBZ-UHFFFAOYSA-N
XLogP3.41
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide (CID 1434967) is N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide is CCc1cccc(CC)c1NC(=O)Cn1c(-c2ccc(F)cc2)noc1=O.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The InChIKey is VNCVPMOWGYCOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-3-13-6-5-7-14(4-2)18(13)22-17(25)12-24-19(23-27-20(24)26)15-8-10-16(21)11-9-15/h5-11H,3-4,12H2,1-2H3,(H,22,25).
What are the key properties of N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide has a molecular weight of 369.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide is sourced from PubChem (CID 1434967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).