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

C13H23N3O2 — CID 64535657

IUPAC1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNC(Cc1nc(C(C)OCC)no1)C1CC1
InChIInChI=1S/C13H23N3O2/c1-4-14-11(10-6-7-10)8-12-15-13(16-18-12)9(3)17-5-2/h9-11,14H,4-8H2,1-3H3
InChIKeyYEKGHUDFHHKMEI-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.10
Rot. Bonds8

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

1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (PubChem CID 64535657) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
PubChem CID64535657
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNC(Cc1nc(C(C)OCC)no1)C1CC1
InChIInChI=1S/C13H23N3O2/c1-4-14-11(10-6-7-10)8-12-15-13(16-18-12)9(3)17-5-2/h9-11,14H,4-8H2,1-3H3
InChIKeyYEKGHUDFHHKMEI-UHFFFAOYSA-N
XLogP2.10
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (CID 64535657) is 1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is CCNC(Cc1nc(C(C)OCC)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The InChIKey is YEKGHUDFHHKMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-14-11(10-6-7-10)8-12-15-13(16-18-12)9(3)17-5-2/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine has a molecular weight of 253.35 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 64535657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).