4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole

C11H18N2O2 — CID 164642858

IUPAC4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCO[C@H]1CCCN(Cc2cnoc2C)C1
InChIInChI=1S/C11H18N2O2/c1-9-10(6-12-15-9)7-13-5-3-4-11(8-13)14-2/h6,11H,3-5,7-8H2,1-2H3/t11-/m0/s1
InChIKeyNVWFZINGUZKRNE-NSHDSACASA-N
MW210.28 g/mol
LogP1.59
Rot. Bonds3

About 4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole

4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 164642858) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID164642858
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCO[C@H]1CCCN(Cc2cnoc2C)C1
InChIInChI=1S/C11H18N2O2/c1-9-10(6-12-15-9)7-13-5-3-4-11(8-13)14-2/h6,11H,3-5,7-8H2,1-2H3/t11-/m0/s1
InChIKeyNVWFZINGUZKRNE-NSHDSACASA-N
XLogP1.59
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 164642858) is 4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole is CO[C@H]1CCCN(Cc2cnoc2C)C1.
What is the InChIKey of 4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is NVWFZINGUZKRNE-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-10(6-12-15-9)7-13-5-3-4-11(8-13)14-2/h6,11H,3-5,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 210.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 164642858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).