N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide

C9H11N3O3 — CID 63663681

IUPACN-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide
SMILESO=C1CCC(NC(=O)c2ccno2)CN1
InChIInChI=1S/C9H11N3O3/c13-8-2-1-6(5-10-8)12-9(14)7-3-4-11-15-7/h3-4,6H,1-2,5H2,(H,10,13)(H,12,14)
InChIKeyJZLIGUKJZDSRHX-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.32
Rot. Bonds2

About N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide

N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide (PubChem CID 63663681) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide
PubChem CID63663681
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC NameN-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide
SMILESO=C1CCC(NC(=O)c2ccno2)CN1
InChIInChI=1S/C9H11N3O3/c13-8-2-1-6(5-10-8)12-9(14)7-3-4-11-15-7/h3-4,6H,1-2,5H2,(H,10,13)(H,12,14)
InChIKeyJZLIGUKJZDSRHX-UHFFFAOYSA-N
XLogP-0.32
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide (CID 63663681) is N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide is O=C1CCC(NC(=O)c2ccno2)CN1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is JZLIGUKJZDSRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-8-2-1-6(5-10-8)12-9(14)7-3-4-11-15-7/h3-4,6H,1-2,5H2,(H,10,13)(H,12,14).
What are the key properties of N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide?
N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 209.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 63663681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).