2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide

C17H21N3O5 — CID 122155046

IUPAC2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
SMILESCC(NC(=O)COc1ccc2oc(=O)[nH]c2c1)C(=O)N1CCCCC1
InChIInChI=1S/C17H21N3O5/c1-11(16(22)20-7-3-2-4-8-20)18-15(21)10-24-12-5-6-14-13(9-12)19-17(23)25-14/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,21)(H,19,23)
InChIKeyCANXRHARBFWAEL-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.02
Rot. Bonds5

About 2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide

2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide (PubChem CID 122155046) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
PubChem CID122155046
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
SMILESCC(NC(=O)COc1ccc2oc(=O)[nH]c2c1)C(=O)N1CCCCC1
InChIInChI=1S/C17H21N3O5/c1-11(16(22)20-7-3-2-4-8-20)18-15(21)10-24-12-5-6-14-13(9-12)19-17(23)25-14/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,21)(H,19,23)
InChIKeyCANXRHARBFWAEL-UHFFFAOYSA-N
XLogP1.02
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
2-(4-fluorophenoxy)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94822842
2-(2-methoxyphenoxy)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 110347464
2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37093998
5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one
CID 11711113
N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 2126358
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenoxyacetamide
CID 110351364
7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70309762
2-(3-acetylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37094323
2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 94667978
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107034590
5-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662250

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide (CID 122155046) is 2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide is CC(NC(=O)COc1ccc2oc(=O)[nH]c2c1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide?
The InChIKey is CANXRHARBFWAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-11(16(22)20-7-3-2-4-8-20)18-15(21)10-24-12-5-6-14-13(9-12)19-17(23)25-14/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide?
2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 122155046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).