2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide

C9H15N3O3 — CID 106409894

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
SMILESCC(C)(C)OCC(=O)NCc1ncon1
InChIInChI=1S/C9H15N3O3/c1-9(2,3)14-5-8(13)10-4-7-11-6-15-12-7/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyDOYFFAMWSNNVGS-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.50
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide

2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide (PubChem CID 106409894) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
PubChem CID106409894
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
SMILESCC(C)(C)OCC(=O)NCc1ncon1
InChIInChI=1S/C9H15N3O3/c1-9(2,3)14-5-8(13)10-4-7-11-6-15-12-7/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyDOYFFAMWSNNVGS-UHFFFAOYSA-N
XLogP0.50
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395491
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396857
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
2-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106405898
[3-(1,2,4-oxadiazol-3-ylmethylamino)-3-oxopropyl] 2-methylprop-2-enoate
CID 178076792
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395520
2-[(2-methylpropan-2-yl)oxy]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 112605146
3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106405904
2-hydroxy-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106509755
tert-butyl N-[3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propyl]carbamate
CID 106396801
2-(cyclopentylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396900

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide (CID 106409894) is 2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide is CC(C)(C)OCC(=O)NCc1ncon1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The InChIKey is DOYFFAMWSNNVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-9(2,3)14-5-8(13)10-4-7-11-6-15-12-7/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide has a molecular weight of 213.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide is sourced from PubChem (CID 106409894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).