3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C19H25N5O4 — CID 42651602

IUPAC3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc(COc2ccc(NC(C)=O)cc2)no1
InChIInChI=1S/C19H25N5O4/c1-3-24-10-4-5-15(24)11-20-18(26)19-22-17(23-28-19)12-27-16-8-6-14(7-9-16)21-13(2)25/h6-9,15H,3-5,10-12H2,1-2H3,(H,20,26)(H,21,25)
InChIKeyABLFDMLTJXUZPG-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.82
Rot. Bonds8

About 3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42651602) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID42651602
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc(COc2ccc(NC(C)=O)cc2)no1
InChIInChI=1S/C19H25N5O4/c1-3-24-10-4-5-15(24)11-20-18(26)19-22-17(23-28-19)12-27-16-8-6-14(7-9-16)21-13(2)25/h6-9,15H,3-5,10-12H2,1-2H3,(H,20,26)(H,21,25)
InChIKeyABLFDMLTJXUZPG-UHFFFAOYSA-N
XLogP1.82
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 42651602) is 3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is CCN1CCCC1CNC(=O)c1nc(COc2ccc(NC(C)=O)cc2)no1.
What is the InChIKey of 3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ABLFDMLTJXUZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-3-24-10-4-5-15(24)11-20-18(26)19-22-17(23-28-19)12-27-16-8-6-14(7-9-16)21-13(2)25/h6-9,15H,3-5,10-12H2,1-2H3,(H,20,26)(H,21,25).
What are the key properties of 3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42651602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).