N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine

C13H22N2O2 — CID 103167131

IUPACN-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(CC2CC(OCC)C2)o1
InChIInChI=1S/C13H22N2O2/c1-3-14-9-13-15-8-12(17-13)7-10-5-11(6-10)16-4-2/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyOBTXKRXOVNIQJU-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.14
Rot. Bonds7

About N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine

N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 103167131) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID103167131
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(CC2CC(OCC)C2)o1
InChIInChI=1S/C13H22N2O2/c1-3-14-9-13-15-8-12(17-13)7-10-5-11(6-10)16-4-2/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyOBTXKRXOVNIQJU-UHFFFAOYSA-N
XLogP2.14
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine (CID 103167131) is N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(CC2CC(OCC)C2)o1.
What is the InChIKey of N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is OBTXKRXOVNIQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-14-9-13-15-8-12(17-13)7-10-5-11(6-10)16-4-2/h8,10-11,14H,3-7,9H2,1-2H3.
What are the key properties of N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 103167131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).