2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide

C20H19N5O4 — CID 71218134

IUPAC2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1noc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)nc12
InChIInChI=1S/C20H19N5O4/c21-19(27)18(26)17-16-15(29-23-17)7-6-14(22-16)20(28)25-10-8-24(9-11-25)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H2,21,27)
InChIKeyGLWABWWOXIMYMD-UHFFFAOYSA-N
MW393.40 g/mol
LogP0.85
Rot. Bonds5

About 2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide

2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide (PubChem CID 71218134) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide
PubChem CID71218134
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1noc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)nc12
InChIInChI=1S/C20H19N5O4/c21-19(27)18(26)17-16-15(29-23-17)7-6-14(22-16)20(28)25-10-8-24(9-11-25)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H2,21,27)
InChIKeyGLWABWWOXIMYMD-UHFFFAOYSA-N
XLogP0.85
TPSA122.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-benzylpiperazine-1-carbonyl)thieno[3,4-b]pyridin-7-yl]-2-oxoacetamide
CID 71218211
2-[5-(4-benzylpiperazine-1-carbonyl)thieno[3,2-b]pyridin-3-yl]-2-oxoacetamide
CID 71218061
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide
CID 71218140
(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 110853051
(4-benzylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109331523
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116153
(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573738
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 120615804
methyl 6-(4-benzyl-1,4-diazepane-1-carbonyl)pyridine-2-carboxylate
CID 51122068
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
(4-benzylpiperazin-1-yl)-[2-[[4-(furan-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856327

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide (CID 71218134) is 2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide is NC(=O)C(=O)c1noc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)nc12.
What is the InChIKey of 2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide?
The InChIKey is GLWABWWOXIMYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c21-19(27)18(26)17-16-15(29-23-17)7-6-14(22-16)20(28)25-10-8-24(9-11-25)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H2,21,27).
What are the key properties of 2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide?
2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide has a molecular weight of 393.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-benzylpiperazine-1-carbonyl)-[1,2]oxazolo[4,5-b]pyridin-3-yl]-2-oxoacetamide is sourced from PubChem (CID 71218134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).