N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine

C14H24N2O3 — CID 62457342

IUPACN-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCCCCOCCOCc1cc(CNC2CC2)no1
InChIInChI=1S/C14H24N2O3/c1-2-3-6-17-7-8-18-11-14-9-13(16-19-14)10-15-12-4-5-12/h9,12,15H,2-8,10-11H2,1H3
InChIKeyHTBYYBMNCUNYEG-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.26
Rot. Bonds11

About N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 62457342) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID62457342
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCCCCOCCOCc1cc(CNC2CC2)no1
InChIInChI=1S/C14H24N2O3/c1-2-3-6-17-7-8-18-11-14-9-13(16-19-14)10-15-12-4-5-12/h9,12,15H,2-8,10-11H2,1H3
InChIKeyHTBYYBMNCUNYEG-UHFFFAOYSA-N
XLogP2.26
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.26
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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Related Compounds

N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 103180982
N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62440537
N-[[5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 82792305
N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62418473
2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455149
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 81067715
N-[[5-[(2-bromophenyl)methoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 82826186
N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62439222
N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444889

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 62457342) is N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine is CCCCOCCOCc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is HTBYYBMNCUNYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-3-6-17-7-8-18-11-14-9-13(16-19-14)10-15-12-4-5-12/h9,12,15H,2-8,10-11H2,1H3.
What are the key properties of N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 268.36 g/mol, XLogP of 2.26, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62457342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).