1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine

C13H23N3O2 — CID 106815738

IUPAC1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNC(Cc1nc(CCOCC)no1)C1CC1
InChIInChI=1S/C13H23N3O2/c1-3-14-11(10-5-6-10)9-13-15-12(16-18-13)7-8-17-4-2/h10-11,14H,3-9H2,1-2H3
InChIKeyOYWOXULCTCTTOG-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.58
Rot. Bonds9

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

1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (PubChem CID 106815738) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
PubChem CID106815738
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNC(Cc1nc(CCOCC)no1)C1CC1
InChIInChI=1S/C13H23N3O2/c1-3-14-11(10-5-6-10)9-13-15-12(16-18-13)7-8-17-4-2/h10-11,14H,3-9H2,1-2H3
InChIKeyOYWOXULCTCTTOG-UHFFFAOYSA-N
XLogP1.58
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106815685
1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63892399
1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 64535657
1-cyclopropyl-2-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 116733585
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine
CID 63717824
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63349919
1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 116733432
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 106814715
1-cyclopropyl-N-ethyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 116809156
cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 106814551
N-[1-cyclopropyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63350636
1-cyclopropyl-2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 107918247

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (CID 106815738) is 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is CCNC(Cc1nc(CCOCC)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The InChIKey is OYWOXULCTCTTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-14-11(10-5-6-10)9-13-15-12(16-18-13)7-8-17-4-2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine has a molecular weight of 253.35 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 106815738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).