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

C11H19N3O2 — CID 66189164

IUPAC1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine
SMILESCOCc1cc(CN2CCC(N)CC2)no1
InChIInChI=1S/C11H19N3O2/c1-15-8-11-6-10(13-16-11)7-14-4-2-9(12)3-5-14/h6,9H,2-5,7-8,12H2,1H3
InChIKeyMSVGBCVLHKTVMG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.74
Rot. Bonds4

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

1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine (PubChem CID 66189164) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine
PubChem CID66189164
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine
SMILESCOCc1cc(CN2CCC(N)CC2)no1
InChIInChI=1S/C11H19N3O2/c1-15-8-11-6-10(13-16-11)7-14-4-2-9(12)3-5-14/h6,9H,2-5,7-8,12H2,1H3
InChIKeyMSVGBCVLHKTVMG-UHFFFAOYSA-N
XLogP0.74
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine (CID 66189164) is 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine is COCc1cc(CN2CCC(N)CC2)no1.
What is the InChIKey of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine?
The InChIKey is MSVGBCVLHKTVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-15-8-11-6-10(13-16-11)7-14-4-2-9(12)3-5-14/h6,9H,2-5,7-8,12H2,1H3.
What are the key properties of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine?
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine has a molecular weight of 225.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 66189164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).