[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

C14H19N3O2 — CID 116701976

IUPAC[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCCOC(CC)c1noc(C(N)c2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-3-11(18-4-2)13-16-14(19-17-13)12(15)10-8-6-5-7-9-10/h5-9,11-12H,3-4,15H2,1-2H3
InChIKeyJYDIWKHCKYDPRU-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.61
Rot. Bonds6

About [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (PubChem CID 116701976) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
PubChem CID116701976
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCCOC(CC)c1noc(C(N)c2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-3-11(18-4-2)13-16-14(19-17-13)12(15)10-8-6-5-7-9-10/h5-9,11-12H,3-4,15H2,1-2H3
InChIKeyJYDIWKHCKYDPRU-UHFFFAOYSA-N
XLogP2.61
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The IUPAC name of [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (CID 116701976) is [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.
What is the SMILES notation for [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The canonical SMILES for [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is CCOC(CC)c1noc(C(N)c2ccccc2)n1.
What is the InChIKey of [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The InChIKey is JYDIWKHCKYDPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-11(18-4-2)13-16-14(19-17-13)12(15)10-8-6-5-7-9-10/h5-9,11-12H,3-4,15H2,1-2H3.
What are the key properties of [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 116701976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).