2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C12H23N3O3 — CID 112587704

IUPAC2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(C)OCCOCc1nc(C(C)(C)N)no1
InChIInChI=1S/C12H23N3O3/c1-11(2,3)17-7-6-16-8-9-14-10(15-18-9)12(4,5)13/h6-8,13H2,1-5H3
InChIKeyFVGQXNMRXHBHJN-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.60
Rot. Bonds6

About 2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 112587704) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID112587704
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(C)OCCOCc1nc(C(C)(C)N)no1
InChIInChI=1S/C12H23N3O3/c1-11(2,3)17-7-6-16-8-9-14-10(15-18-9)12(4,5)13/h6-8,13H2,1-5H3
InChIKeyFVGQXNMRXHBHJN-UHFFFAOYSA-N
XLogP1.60
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine with MolForge

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Related Compounds

1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107940748
2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
CID 47002453
1-propoxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103211847
2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55227296
2-(5-pentyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 61326284
2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637023
2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 114753767
1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435681
2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 63296898
2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,3-benzoxazol-4-amine
CID 112587266
2-[5-[(4-bromo-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 65203605
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 116740710

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 112587704) is 2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)(C)OCCOCc1nc(C(C)(C)N)no1.
What is the InChIKey of 2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is FVGQXNMRXHBHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-11(2,3)17-7-6-16-8-9-14-10(15-18-9)12(4,5)13/h6-8,13H2,1-5H3.
What are the key properties of 2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 257.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 112587704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).