N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide

C6H9N3O3 — CID 137214188

IUPACN-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1noc(=O)[nH]1
InChIInChI=1S/C6H9N3O3/c1-4(10)7-3-2-5-8-6(11)12-9-5/h2-3H2,1H3,(H,7,10)(H,8,9,11)
InChIKeyRSFRRXMKVZDYRM-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.96
Rot. Bonds3

About N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide

N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 137214188) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID137214188
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC NameN-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1noc(=O)[nH]1
InChIInChI=1S/C6H9N3O3/c1-4(10)7-3-2-5-8-6(11)12-9-5/h2-3H2,1H3,(H,7,10)(H,8,9,11)
InChIKeyRSFRRXMKVZDYRM-UHFFFAOYSA-N
XLogP-0.96
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 137214188) is N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide is CC(=O)NCCc1noc(=O)[nH]1.
What is the InChIKey of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is RSFRRXMKVZDYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-4(10)7-3-2-5-8-6(11)12-9-5/h2-3H2,1H3,(H,7,10)(H,8,9,11).
What are the key properties of N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 171.16 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 137214188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).