2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide

C9H16N4O2 — CID 107436449

IUPAC2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
SMILESCCCCc1noc(CNCC(N)=O)n1
InChIInChI=1S/C9H16N4O2/c1-2-3-4-8-12-9(15-13-8)6-11-5-7(10)14/h11H,2-6H2,1H3,(H2,10,14)
InChIKeyRYCMTMUYKISIIQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.01
Rot. Bonds7

About 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide (PubChem CID 107436449) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
PubChem CID107436449
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
SMILESCCCCc1noc(CNCC(N)=O)n1
InChIInChI=1S/C9H16N4O2/c1-2-3-4-8-12-9(15-13-8)6-11-5-7(10)14/h11H,2-6H2,1H3,(H2,10,14)
InChIKeyRYCMTMUYKISIIQ-UHFFFAOYSA-N
XLogP-0.01
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The IUPAC name of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide (CID 107436449) is 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The canonical SMILES for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide is CCCCc1noc(CNCC(N)=O)n1.
What is the InChIKey of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The InChIKey is RYCMTMUYKISIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-3-4-8-12-9(15-13-8)6-11-5-7(10)14/h11H,2-6H2,1H3,(H2,10,14).
What are the key properties of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide is sourced from PubChem (CID 107436449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).