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

C13H23N3O3 — CID 66252493

IUPAC4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(C(C)OCC)no1
InChIInChI=1S/C13H23N3O3/c1-4-6-14-11-8-17-7-10(11)13-15-12(16-19-13)9(3)18-5-2/h9-11,14H,4-8H2,1-3H3
InChIKeyWKRAHMOYZUCEII-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.65
Rot. Bonds7

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

4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine (PubChem CID 66252493) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
PubChem CID66252493
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(C(C)OCC)no1
InChIInChI=1S/C13H23N3O3/c1-4-6-14-11-8-17-7-10(11)13-15-12(16-19-13)9(3)18-5-2/h9-11,14H,4-8H2,1-3H3
InChIKeyWKRAHMOYZUCEII-UHFFFAOYSA-N
XLogP1.65
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66248052
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252490
4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252881
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83201404
N-propyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 82007546
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 116733139
N-propyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66252880
4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine
CID 116807168
3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 64539424
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66251331
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66253458
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylcycloheptan-1-amine
CID 63348236

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine (CID 66252493) is 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine is CCCNC1COCC1c1nc(C(C)OCC)no1.
What is the InChIKey of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The InChIKey is WKRAHMOYZUCEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-6-14-11-8-17-7-10(11)13-15-12(16-19-13)9(3)18-5-2/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine has a molecular weight of 269.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66252493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).