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

C12H20N2O3 — CID 65182670

IUPACN-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCOCCNCCc1ncc(C2CCOC2)o1
InChIInChI=1S/C12H20N2O3/c1-15-7-5-13-4-2-12-14-8-11(17-12)10-3-6-16-9-10/h8,10,13H,2-7,9H2,1H3
InChIKeyUGBLCRMVAZDTIB-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.96
Rot. Bonds7

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

N-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65182670) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65182670
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCOCCNCCc1ncc(C2CCOC2)o1
InChIInChI=1S/C12H20N2O3/c1-15-7-5-13-4-2-12-14-8-11(17-12)10-3-6-16-9-10/h8,10,13H,2-7,9H2,1H3
InChIKeyUGBLCRMVAZDTIB-UHFFFAOYSA-N
XLogP0.96
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine (CID 65182670) is N-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine is COCCNCCc1ncc(C2CCOC2)o1.
What is the InChIKey of N-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is UGBLCRMVAZDTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-15-7-5-13-4-2-12-14-8-11(17-12)10-3-6-16-9-10/h8,10,13H,2-7,9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine?
N-(2-methoxyethyl)-2-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 240.30 g/mol, XLogP of 0.96, 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-(oxolan-3-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65182670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).