N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide

C11H11N5O3 — CID 23586791

IUPACN-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide
SMILESCCC(NC=O)C(=O)c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H11N5O3/c1-2-7(14-6-17)9(18)11-15-10(16-19-11)8-5-12-3-4-13-8/h3-7H,2H2,1H3,(H,14,17)
InChIKeyWWZUVOQVUHJGMQ-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.23
Rot. Bonds6

About N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide

N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide (PubChem CID 23586791) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide
PubChem CID23586791
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC NameN-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide
SMILESCCC(NC=O)C(=O)c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H11N5O3/c1-2-7(14-6-17)9(18)11-15-10(16-19-11)8-5-12-3-4-13-8/h3-7H,2H2,1H3,(H,14,17)
InChIKeyWWZUVOQVUHJGMQ-UHFFFAOYSA-N
XLogP0.23
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide?
The IUPAC name of N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide (CID 23586791) is N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide.
What is the SMILES notation for N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide?
The canonical SMILES for N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide is CCC(NC=O)C(=O)c1nc(-c2cnccn2)no1.
What is the InChIKey of N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide?
The InChIKey is WWZUVOQVUHJGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-2-7(14-6-17)9(18)11-15-10(16-19-11)8-5-12-3-4-13-8/h3-7H,2H2,1H3,(H,14,17).
What are the key properties of N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide?
N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide has a molecular weight of 261.24 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]formamide is sourced from PubChem (CID 23586791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).