N-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine

C12H20N2O2 — CID 79762579

IUPACN-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(C2CCOC2C)o1
InChIInChI=1S/C12H20N2O2/c1-3-13-6-4-12-14-8-11(16-12)10-5-7-15-9(10)2/h8-10,13H,3-7H2,1-2H3
InChIKeyXPALLZGFEQEBOR-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.72
Rot. Bonds5

About N-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine

N-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 79762579) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID79762579
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(C2CCOC2C)o1
InChIInChI=1S/C12H20N2O2/c1-3-13-6-4-12-14-8-11(16-12)10-5-7-15-9(10)2/h8-10,13H,3-7H2,1-2H3
InChIKeyXPALLZGFEQEBOR-UHFFFAOYSA-N
XLogP1.72
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine (CID 79762579) is N-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine is CCNCCc1ncc(C2CCOC2C)o1.
What is the InChIKey of N-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is XPALLZGFEQEBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-13-6-4-12-14-8-11(16-12)10-5-7-15-9(10)2/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 224.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 79762579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).