2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide

C11H11N5O3 — CID 51106484

IUPAC2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1c(-c2ncccn2)noc1=O
InChIInChI=1S/C11H11N5O3/c1-2-4-12-8(17)7-16-10(15-19-11(16)18)9-13-5-3-6-14-9/h2-3,5-6H,1,4,7H2,(H,12,17)
InChIKeyHFIYRPFIFOZWPY-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.40
Rot. Bonds5

About 2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide

2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide (PubChem CID 51106484) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide
PubChem CID51106484
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1c(-c2ncccn2)noc1=O
InChIInChI=1S/C11H11N5O3/c1-2-4-12-8(17)7-16-10(15-19-11(16)18)9-13-5-3-6-14-9/h2-3,5-6H,1,4,7H2,(H,12,17)
InChIKeyHFIYRPFIFOZWPY-UHFFFAOYSA-N
XLogP-0.40
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide (CID 51106484) is 2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1c(-c2ncccn2)noc1=O.
What is the InChIKey of 2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide?
The InChIKey is HFIYRPFIFOZWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-2-4-12-8(17)7-16-10(15-19-11(16)18)9-13-5-3-6-14-9/h2-3,5-6H,1,4,7H2,(H,12,17).
What are the key properties of 2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide?
2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide has a molecular weight of 261.24 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 51106484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).