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

C20H21FN4O3 — CID 134706477

IUPAC2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide
SMILESCCOc1ccccc1-c1nnc(NC(=O)C(c2ccccc2F)N(C)C)o1
InChIInChI=1S/C20H21FN4O3/c1-4-27-16-12-8-6-10-14(16)19-23-24-20(28-19)22-18(26)17(25(2)3)13-9-5-7-11-15(13)21/h5-12,17H,4H2,1-3H3,(H,22,24,26)
InChIKeyTVQSPJUVJXYIFG-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.52
Rot. Bonds7

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

2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 134706477) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide
PubChem CID134706477
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide
SMILESCCOc1ccccc1-c1nnc(NC(=O)C(c2ccccc2F)N(C)C)o1
InChIInChI=1S/C20H21FN4O3/c1-4-27-16-12-8-6-10-14(16)19-23-24-20(28-19)22-18(26)17(25(2)3)13-9-5-7-11-15(13)21/h5-12,17H,4H2,1-3H3,(H,22,24,26)
InChIKeyTVQSPJUVJXYIFG-UHFFFAOYSA-N
XLogP3.52
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide (CID 134706477) is 2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide is CCOc1ccccc1-c1nnc(NC(=O)C(c2ccccc2F)N(C)C)o1.
What is the InChIKey of 2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is TVQSPJUVJXYIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-4-27-16-12-8-6-10-14(16)19-23-24-20(28-19)22-18(26)17(25(2)3)13-9-5-7-11-15(13)21/h5-12,17H,4H2,1-3H3,(H,22,24,26).
What are the key properties of 2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide?
2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 384.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 134706477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).