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

C16H21FN4O3 — CID 72871078

IUPAC2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCOCCc1nc(CNC(=O)C(c2cccc(F)c2)N(C)C)no1
InChIInChI=1S/C16H21FN4O3/c1-21(2)15(11-5-4-6-12(17)9-11)16(22)18-10-13-19-14(24-20-13)7-8-23-3/h4-6,9,15H,7-8,10H2,1-3H3,(H,18,22)
InChIKeyIIQUHPULVPNJGK-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.32
Rot. Bonds8

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

2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (PubChem CID 72871078) has the molecular formula C16H21FN4O3 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
PubChem CID72871078
Molecular FormulaC16H21FN4O3
Molecular Weight336.37 g/mol
Exact Mass336.16
IUPAC Name2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCOCCc1nc(CNC(=O)C(c2cccc(F)c2)N(C)C)no1
InChIInChI=1S/C16H21FN4O3/c1-21(2)15(11-5-4-6-12(17)9-11)16(22)18-10-13-19-14(24-20-13)7-8-23-3/h4-6,9,15H,7-8,10H2,1-3H3,(H,18,22)
InChIKeyIIQUHPULVPNJGK-UHFFFAOYSA-N
XLogP1.32
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (CID 72871078) is 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is COCCc1nc(CNC(=O)C(c2cccc(F)c2)N(C)C)no1.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The InChIKey is IIQUHPULVPNJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3/c1-21(2)15(11-5-4-6-12(17)9-11)16(22)18-10-13-19-14(24-20-13)7-8-23-3/h4-6,9,15H,7-8,10H2,1-3H3,(H,18,22).
What are the key properties of 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide has a molecular weight of 336.37 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is sourced from PubChem (CID 72871078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).