N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine

C15H25N3O3 — CID 56775549

IUPACN-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine
SMILESCOCc1cc(CC2(NC3CCN(C)CC3)COC2)no1
InChIInChI=1S/C15H25N3O3/c1-18-5-3-12(4-6-18)16-15(10-20-11-15)8-13-7-14(9-19-2)21-17-13/h7,12,16H,3-6,8-11H2,1-2H3
InChIKeyQZOPSNCLCAJFGW-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.82
Rot. Bonds6

About N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine

N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine (PubChem CID 56775549) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine
PubChem CID56775549
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine
SMILESCOCc1cc(CC2(NC3CCN(C)CC3)COC2)no1
InChIInChI=1S/C15H25N3O3/c1-18-5-3-12(4-6-18)16-15(10-20-11-15)8-13-7-14(9-19-2)21-17-13/h7,12,16H,3-6,8-11H2,1-2H3
InChIKeyQZOPSNCLCAJFGW-UHFFFAOYSA-N
XLogP0.82
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine (CID 56775549) is N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine is COCc1cc(CC2(NC3CCN(C)CC3)COC2)no1.
What is the InChIKey of N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine?
The InChIKey is QZOPSNCLCAJFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-18-5-3-12(4-6-18)16-15(10-20-11-15)8-13-7-14(9-19-2)21-17-13/h7,12,16H,3-6,8-11H2,1-2H3.
What are the key properties of N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine?
N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine has a molecular weight of 295.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 56775549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).