N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide

C6H6N2O3 — CID 21031069

IUPACN-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide
SMILESO=CC(=O)NCc1ncco1
InChIInChI=1S/C6H6N2O3/c9-4-5(10)8-3-6-7-1-2-11-6/h1-2,4H,3H2,(H,8,10)
InChIKeyACIDNNINCCRDAY-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.51
Rot. Bonds3

About N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide

N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide (PubChem CID 21031069) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide
PubChem CID21031069
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC NameN-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide
SMILESO=CC(=O)NCc1ncco1
InChIInChI=1S/C6H6N2O3/c9-4-5(10)8-3-6-7-1-2-11-6/h1-2,4H,3H2,(H,8,10)
InChIKeyACIDNNINCCRDAY-UHFFFAOYSA-N
XLogP-0.51
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide?
The IUPAC name of N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide (CID 21031069) is N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide.
What is the SMILES notation for N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide?
The canonical SMILES for N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide is O=CC(=O)NCc1ncco1.
What is the InChIKey of N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide?
The InChIKey is ACIDNNINCCRDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-4-5(10)8-3-6-7-1-2-11-6/h1-2,4H,3H2,(H,8,10).
What are the key properties of N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide?
N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide has a molecular weight of 154.12 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide is sourced from PubChem (CID 21031069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).