N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide

C8H14N4O2 — CID 86261821

IUPACN-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1nc(CCN)no1
InChIInChI=1S/C8H14N4O2/c1-6(13)12(2)5-8-10-7(3-4-9)11-14-8/h3-5,9H2,1-2H3
InChIKeyBZYWBSMFUNQIHH-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.45
Rot. Bonds4

About N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide

N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide (PubChem CID 86261821) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
PubChem CID86261821
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1nc(CCN)no1
InChIInChI=1S/C8H14N4O2/c1-6(13)12(2)5-8-10-7(3-4-9)11-14-8/h3-5,9H2,1-2H3
InChIKeyBZYWBSMFUNQIHH-UHFFFAOYSA-N
XLogP-0.45
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide (CID 86261821) is N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1nc(CCN)no1.
What is the InChIKey of N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
The InChIKey is BZYWBSMFUNQIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-6(13)12(2)5-8-10-7(3-4-9)11-14-8/h3-5,9H2,1-2H3.
What are the key properties of N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide has a molecular weight of 198.23 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 86261821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).