N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine

C13H22N2O3 — CID 56775530

IUPACN,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCCN(CC)C1(Cc2cc(COC)on2)COC1
InChIInChI=1S/C13H22N2O3/c1-4-15(5-2)13(9-17-10-13)7-11-6-12(8-16-3)18-14-11/h6H,4-5,7-10H2,1-3H3
InChIKeyYVEVUBFPHDOVSB-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.47
Rot. Bonds7

About N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine

N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (PubChem CID 56775530) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
PubChem CID56775530
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
SMILESCCN(CC)C1(Cc2cc(COC)on2)COC1
InChIInChI=1S/C13H22N2O3/c1-4-15(5-2)13(9-17-10-13)7-11-6-12(8-16-3)18-14-11/h6H,4-5,7-10H2,1-3H3
InChIKeyYVEVUBFPHDOVSB-UHFFFAOYSA-N
XLogP1.47
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The IUPAC name of N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine (CID 56775530) is N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine.
What is the SMILES notation for N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The canonical SMILES for N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is CCN(CC)C1(Cc2cc(COC)on2)COC1.
What is the InChIKey of N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
The InChIKey is YVEVUBFPHDOVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-15(5-2)13(9-17-10-13)7-11-6-12(8-16-3)18-14-11/h6H,4-5,7-10H2,1-3H3.
What are the key properties of N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine?
N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine has a molecular weight of 254.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine is sourced from PubChem (CID 56775530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).