N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine

C14H24N2O2 — CID 106206079

IUPACN-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COCCC2CCC2)on1
InChIInChI=1S/C14H24N2O2/c1-11(2)15-9-13-8-14(18-16-13)10-17-7-6-12-4-3-5-12/h8,11-12,15H,3-7,9-10H2,1-2H3
InChIKeyCLTGJOPDESVIKB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.88
Rot. Bonds8

About N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine

N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 106206079) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID106206079
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COCCC2CCC2)on1
InChIInChI=1S/C14H24N2O2/c1-11(2)15-9-13-8-14(18-16-13)10-17-7-6-12-4-3-5-12/h8,11-12,15H,3-7,9-10H2,1-2H3
InChIKeyCLTGJOPDESVIKB-UHFFFAOYSA-N
XLogP2.88
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 106206079) is N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(C)NCc1cc(COCCC2CCC2)on1.
What is the InChIKey of N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is CLTGJOPDESVIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)15-9-13-8-14(18-16-13)10-17-7-6-12-4-3-5-12/h8,11-12,15H,3-7,9-10H2,1-2H3.
What are the key properties of N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-cyclobutylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 106206079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).