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

C12H22N4O3 — CID 107436718

IUPAC2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESCCOC(CC)(CC)c1noc(CNCC(N)=O)n1
InChIInChI=1S/C12H22N4O3/c1-4-12(5-2,18-6-3)11-15-10(19-16-11)8-14-7-9(13)17/h14H,4-8H2,1-3H3,(H2,13,17)
InChIKeyNDTNPTPQMALHNK-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.70
Rot. Bonds9

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

2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide (PubChem CID 107436718) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
PubChem CID107436718
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESCCOC(CC)(CC)c1noc(CNCC(N)=O)n1
InChIInChI=1S/C12H22N4O3/c1-4-12(5-2,18-6-3)11-15-10(19-16-11)8-14-7-9(13)17/h14H,4-8H2,1-3H3,(H2,13,17)
InChIKeyNDTNPTPQMALHNK-UHFFFAOYSA-N
XLogP0.70
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116740888
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 116740991
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116740963
2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116740930
1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 116741023
4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116740959
2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436380
4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116740998
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436449
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116740982
2-[[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436752
3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 116778214

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The IUPAC name of 2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide (CID 107436718) is 2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide.
What is the SMILES notation for 2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The canonical SMILES for 2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide is CCOC(CC)(CC)c1noc(CNCC(N)=O)n1.
What is the InChIKey of 2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The InChIKey is NDTNPTPQMALHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-4-12(5-2,18-6-3)11-15-10(19-16-11)8-14-7-9(13)17/h14H,4-8H2,1-3H3,(H2,13,17).
What are the key properties of 2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide has a molecular weight of 270.33 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide is sourced from PubChem (CID 107436718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).