1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C12H18N4O4 — CID 104636665

IUPAC1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(-c2cc(COC)on2)n1
InChIInChI=1S/C12H18N4O4/c1-4-18-7-12(2,13)11-14-10(20-16-11)9-5-8(6-17-3)19-15-9/h5H,4,6-7,13H2,1-3H3
InChIKeyLAOWVNOBDZPTAA-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.08
Rot. Bonds7

About 1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine

1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 104636665) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID104636665
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(-c2cc(COC)on2)n1
InChIInChI=1S/C12H18N4O4/c1-4-18-7-12(2,13)11-14-10(20-16-11)9-5-8(6-17-3)19-15-9/h5H,4,6-7,13H2,1-3H3
InChIKeyLAOWVNOBDZPTAA-UHFFFAOYSA-N
XLogP1.08
TPSA109.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636799
2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633923
1-ethoxy-2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 102922612
ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylate
CID 66157601
4-[3-(2-amino-1-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 104636619
1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636821
1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636768
2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 102802232
5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid
CID 66157603
1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435681
2-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637034
2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636594

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 104636665) is 1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CCOCC(C)(N)c1noc(-c2cc(COC)on2)n1.
What is the InChIKey of 1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is LAOWVNOBDZPTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-4-18-7-12(2,13)11-14-10(20-16-11)9-5-8(6-17-3)19-15-9/h5H,4,6-7,13H2,1-3H3.
What are the key properties of 1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 282.30 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 104636665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).