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

C16H21N3O2 — CID 65328848

IUPACN-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCCNC(Cc1nc(C2CCCO2)no1)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-2-17-13(12-7-4-3-5-8-12)11-15-18-16(19-21-15)14-9-6-10-20-14/h3-5,7-8,13-14,17H,2,6,9-11H2,1H3
InChIKeyCKBKTUWZTZUECE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.81
Rot. Bonds6

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

N-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (PubChem CID 65328848) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
PubChem CID65328848
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCCNC(Cc1nc(C2CCCO2)no1)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-2-17-13(12-7-4-3-5-8-12)11-15-18-16(19-21-15)14-9-6-10-20-14/h3-5,7-8,13-14,17H,2,6,9-11H2,1H3
InChIKeyCKBKTUWZTZUECE-UHFFFAOYSA-N
XLogP2.81
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The IUPAC name of N-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (CID 65328848) is N-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is CCNC(Cc1nc(C2CCCO2)no1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The InChIKey is CKBKTUWZTZUECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-17-13(12-7-4-3-5-8-12)11-15-18-16(19-21-15)14-9-6-10-20-14/h3-5,7-8,13-14,17H,2,6,9-11H2,1H3.
What are the key properties of N-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
N-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is sourced from PubChem (CID 65328848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).