acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol

C8H17N5O3 — CID 142578354

IUPACacetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol
SMILESCC(N)=O.CNC(CO)c1noc(CN)n1
InChIInChI=1S/C6H12N4O2.C2H5NO/c1-8-4(3-11)6-9-5(2-7)12-10-6;1-2(3)4/h4,8,11H,2-3,7H2,1H3;1H3,(H2,3,4)
InChIKeyKJUZXHKRNLZOCY-UHFFFAOYSA-N
MW231.26 g/mol
LogP-1.73
Rot. Bonds4

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

acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol (PubChem CID 142578354) has the molecular formula C8H17N5O3 and a molecular weight of 231.26 g/mol. Its IUPAC name is acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol.

Molecular Properties

Compound Nameacetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol
PubChem CID142578354
Molecular FormulaC8H17N5O3
Molecular Weight231.26 g/mol
Exact Mass231.13
IUPAC Nameacetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol
SMILESCC(N)=O.CNC(CO)c1noc(CN)n1
InChIInChI=1S/C6H12N4O2.C2H5NO/c1-8-4(3-11)6-9-5(2-7)12-10-6;1-2(3)4/h4,8,11H,2-3,7H2,1H3;1H3,(H2,3,4)
InChIKeyKJUZXHKRNLZOCY-UHFFFAOYSA-N
XLogP-1.73
TPSA140.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol?
The IUPAC name of acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol (CID 142578354) is acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol.
What is the SMILES notation for acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol?
The canonical SMILES for acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol is CC(N)=O.CNC(CO)c1noc(CN)n1.
What is the InChIKey of acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol?
The InChIKey is KJUZXHKRNLZOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2.C2H5NO/c1-8-4(3-11)6-9-5(2-7)12-10-6;1-2(3)4/h4,8,11H,2-3,7H2,1H3;1H3,(H2,3,4).
What are the key properties of acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol?
acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol has a molecular weight of 231.26 g/mol, XLogP of -1.73, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol is sourced from PubChem (CID 142578354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).