2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine

C16H23N3O2 — CID 64533640

IUPAC2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1nc(C(C)OCC)no1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-4-17-14(13-9-7-6-8-10-13)11-15-18-16(19-21-15)12(3)20-5-2/h6-10,12,14,17H,4-5,11H2,1-3H3
InChIKeyJNASKQXAYQHALU-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.06
Rot. Bonds8

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

2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine (PubChem CID 64533640) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine
PubChem CID64533640
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1nc(C(C)OCC)no1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-4-17-14(13-9-7-6-8-10-13)11-15-18-16(19-21-15)12(3)20-5-2/h6-10,12,14,17H,4-5,11H2,1-3H3
InChIKeyJNASKQXAYQHALU-UHFFFAOYSA-N
XLogP3.06
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine?
The IUPAC name of 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine (CID 64533640) is 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine?
The canonical SMILES for 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine is CCNC(Cc1nc(C(C)OCC)no1)c1ccccc1.
What is the InChIKey of 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine?
The InChIKey is JNASKQXAYQHALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-17-14(13-9-7-6-8-10-13)11-15-18-16(19-21-15)12(3)20-5-2/h6-10,12,14,17H,4-5,11H2,1-3H3.
What are the key properties of 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine?
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine has a molecular weight of 289.38 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 64533640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).