1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C9H17N3O2 — CID 64538990

IUPAC1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCOC(C)c1noc(CC(C)N)n1
InChIInChI=1S/C9H17N3O2/c1-4-13-7(3)9-11-8(14-12-9)5-6(2)10/h6-7H,4-5,10H2,1-3H3
InChIKeyCLMSBMRQFIEZBU-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.06
Rot. Bonds5

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

1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 64538990) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID64538990
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCOC(C)c1noc(CC(C)N)n1
InChIInChI=1S/C9H17N3O2/c1-4-13-7(3)9-11-8(14-12-9)5-6(2)10/h6-7H,4-5,10H2,1-3H3
InChIKeyCLMSBMRQFIEZBU-UHFFFAOYSA-N
XLogP1.06
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 64533639
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 64534643
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 64540032
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 64539003
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79200735
6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285400
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 64539019
1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 64535657
N-[1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 64535658
3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 95770468
[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458330

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 64538990) is 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCOC(C)c1noc(CC(C)N)n1.
What is the InChIKey of 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is CLMSBMRQFIEZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-13-7(3)9-11-8(14-12-9)5-6(2)10/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 199.25 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 64538990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).