5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide

C20H25N3O4 — CID 45250276

IUPAC5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc(COc2cccc(C(C)=O)c2)on1
InChIInChI=1S/C20H25N3O4/c1-3-23-9-5-7-16(23)12-21-20(25)19-11-18(27-22-19)13-26-17-8-4-6-15(10-17)14(2)24/h4,6,8,10-11,16H,3,5,7,9,12-13H2,1-2H3,(H,21,25)
InChIKeyKRECZTIULKHKNG-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.67
Rot. Bonds8

About 5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide

5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 45250276) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID45250276
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc(COc2cccc(C(C)=O)c2)on1
InChIInChI=1S/C20H25N3O4/c1-3-23-9-5-7-16(23)12-21-20(25)19-11-18(27-22-19)13-26-17-8-4-6-15(10-17)14(2)24/h4,6,8,10-11,16H,3,5,7,9,12-13H2,1-2H3,(H,21,25)
InChIKeyKRECZTIULKHKNG-UHFFFAOYSA-N
XLogP2.67
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 45250276) is 5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide is CCN1CCCC1CNC(=O)c1cc(COc2cccc(C(C)=O)c2)on1.
What is the InChIKey of 5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KRECZTIULKHKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-23-9-5-7-16(23)12-21-20(25)19-11-18(27-22-19)13-26-17-8-4-6-15(10-17)14(2)24/h4,6,8,10-11,16H,3,5,7,9,12-13H2,1-2H3,(H,21,25).
What are the key properties of 5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45250276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).