N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine

C13H22N2O3 — CID 65182428

IUPACN-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCOCCNCCc1ncc(C2CCCCO2)o1
InChIInChI=1S/C13H22N2O3/c1-16-9-7-14-6-5-13-15-10-12(18-13)11-4-2-3-8-17-11/h10-11,14H,2-9H2,1H3
InChIKeyRHEGQIPMQNXYHW-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.69
Rot. Bonds7

About N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine

N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65182428) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65182428
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCOCCNCCc1ncc(C2CCCCO2)o1
InChIInChI=1S/C13H22N2O3/c1-16-9-7-14-6-5-13-15-10-12(18-13)11-4-2-3-8-17-11/h10-11,14H,2-9H2,1H3
InChIKeyRHEGQIPMQNXYHW-UHFFFAOYSA-N
XLogP1.69
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine 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 N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine (CID 65182428) is N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine is COCCNCCc1ncc(C2CCCCO2)o1.
What is the InChIKey of N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is RHEGQIPMQNXYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-16-9-7-14-6-5-13-15-10-12(18-13)11-4-2-3-8-17-11/h10-11,14H,2-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine?
N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 254.33 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65182428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).