N-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine

C13H22N2O3 — CID 106449502

IUPACN-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)COCCOc1nc(CNC2CC2)co1
InChIInChI=1S/C13H22N2O3/c1-10(2)8-16-5-6-17-13-15-12(9-18-13)7-14-11-3-4-11/h9-11,14H,3-8H2,1-2H3
InChIKeyWSSNRHIYWYAQGW-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.98
Rot. Bonds9

About N-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine

N-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 106449502) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID106449502
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)COCCOc1nc(CNC2CC2)co1
InChIInChI=1S/C13H22N2O3/c1-10(2)8-16-5-6-17-13-15-12(9-18-13)7-14-11-3-4-11/h9-11,14H,3-8H2,1-2H3
InChIKeyWSSNRHIYWYAQGW-UHFFFAOYSA-N
XLogP1.98
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

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-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 106449502) is N-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine is CC(C)COCCOc1nc(CNC2CC2)co1.
What is the InChIKey of N-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is WSSNRHIYWYAQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(2)8-16-5-6-17-13-15-12(9-18-13)7-14-11-3-4-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 254.33 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-methylpropoxy)ethoxy]-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106449502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).