3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole

C27H29N3O2 — CID 166338022

IUPAC3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole
SMILESCc1ccccc1OCCN1CCN(Cc2cc(-c3ccc4ccccc4c3)on2)CC1
InChIInChI=1S/C27H29N3O2/c1-21-6-2-5-9-26(21)31-17-16-29-12-14-30(15-13-29)20-25-19-27(32-28-25)24-11-10-22-7-3-4-8-23(22)18-24/h2-11,18-19H,12-17,20H2,1H3
InChIKeyUJQFRUXYFVCTPG-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.00
Rot. Bonds7

About 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole

3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole (PubChem CID 166338022) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole
PubChem CID166338022
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole
SMILESCc1ccccc1OCCN1CCN(Cc2cc(-c3ccc4ccccc4c3)on2)CC1
InChIInChI=1S/C27H29N3O2/c1-21-6-2-5-9-26(21)31-17-16-29-12-14-30(15-13-29)20-25-19-27(32-28-25)24-11-10-22-7-3-4-8-23(22)18-24/h2-11,18-19H,12-17,20H2,1H3
InChIKeyUJQFRUXYFVCTPG-UHFFFAOYSA-N
XLogP5.00
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole 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-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole?
The IUPAC name of 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole (CID 166338022) is 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole?
The canonical SMILES for 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole is Cc1ccccc1OCCN1CCN(Cc2cc(-c3ccc4ccccc4c3)on2)CC1.
What is the InChIKey of 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole?
The InChIKey is UJQFRUXYFVCTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-21-6-2-5-9-26(21)31-17-16-29-12-14-30(15-13-29)20-25-19-27(32-28-25)24-11-10-22-7-3-4-8-23(22)18-24/h2-11,18-19H,12-17,20H2,1H3.
What are the key properties of 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole?
3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole has a molecular weight of 427.55 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole is sourced from PubChem (CID 166338022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).