N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine

C13H22N2O3 — CID 113378047

IUPACN-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(OCC2CCOCC2)n1
InChIInChI=1S/C13H22N2O3/c1-10(2)14-7-12-9-18-13(15-12)17-8-11-3-5-16-6-4-11/h9-11,14H,3-8H2,1-2H3
InChIKeyXXDMYMGHXVVXEN-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.98
Rot. Bonds6

About N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine

N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 113378047) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID113378047
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(OCC2CCOCC2)n1
InChIInChI=1S/C13H22N2O3/c1-10(2)14-7-12-9-18-13(15-12)17-8-11-3-5-16-6-4-11/h9-11,14H,3-8H2,1-2H3
InChIKeyXXDMYMGHXVVXEN-UHFFFAOYSA-N
XLogP1.98
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine 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-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 113378047) is N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1coc(OCC2CCOCC2)n1.
What is the InChIKey of N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is XXDMYMGHXVVXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(2)14-7-12-9-18-13(15-12)17-8-11-3-5-16-6-4-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 254.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxan-4-ylmethoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 113378047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).