N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine

C16H20N2O3 — CID 162645680

IUPACN-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine
SMILESc1ccc(OCc2cc(OCCNC3CCC3)no2)cc1
InChIInChI=1S/C16H20N2O3/c1-2-7-14(8-3-1)20-12-15-11-16(18-21-15)19-10-9-17-13-5-4-6-13/h1-3,7-8,11,13,17H,4-6,9-10,12H2
InChIKeyBGNLRKAAEJHUCK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.77
Rot. Bonds8

About N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine

N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine (PubChem CID 162645680) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine
PubChem CID162645680
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine
SMILESc1ccc(OCc2cc(OCCNC3CCC3)no2)cc1
InChIInChI=1S/C16H20N2O3/c1-2-7-14(8-3-1)20-12-15-11-16(18-21-15)19-10-9-17-13-5-4-6-13/h1-3,7-8,11,13,17H,4-6,9-10,12H2
InChIKeyBGNLRKAAEJHUCK-UHFFFAOYSA-N
XLogP2.77
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.77
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-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine?
The IUPAC name of N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine (CID 162645680) is N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine.
What is the SMILES notation for N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine?
The canonical SMILES for N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine is c1ccc(OCc2cc(OCCNC3CCC3)no2)cc1.
What is the InChIKey of N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine?
The InChIKey is BGNLRKAAEJHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-7-14(8-3-1)20-12-15-11-16(18-21-15)19-10-9-17-13-5-4-6-13/h1-3,7-8,11,13,17H,4-6,9-10,12H2.
What are the key properties of N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine?
N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine has a molecular weight of 288.35 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine is sourced from PubChem (CID 162645680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).