4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole

C19H26N2O2 — CID 56672883

IUPAC4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(CN2[C@H](C)CCC[C@@H]2C)co1
InChIInChI=1S/C19H26N2O2/c1-4-22-18-11-6-5-10-17(18)19-20-16(13-23-19)12-21-14(2)8-7-9-15(21)3/h5-6,10-11,13-15H,4,7-9,12H2,1-3H3/t14-,15+
InChIKeyVNEUYUTZOVZAET-GASCZTMLSA-N
MW314.43 g/mol
LogP4.50
Rot. Bonds5

About 4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole

4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole (PubChem CID 56672883) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole
PubChem CID56672883
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(CN2[C@H](C)CCC[C@@H]2C)co1
InChIInChI=1S/C19H26N2O2/c1-4-22-18-11-6-5-10-17(18)19-20-16(13-23-19)12-21-14(2)8-7-9-15(21)3/h5-6,10-11,13-15H,4,7-9,12H2,1-3H3/t14-,15+
InChIKeyVNEUYUTZOVZAET-GASCZTMLSA-N
XLogP4.50
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole (CID 56672883) is 4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole is CCOc1ccccc1-c1nc(CN2[C@H](C)CCC[C@@H]2C)co1.
What is the InChIKey of 4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole?
The InChIKey is VNEUYUTZOVZAET-GASCZTMLSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-22-18-11-6-5-10-17(18)19-20-16(13-23-19)12-21-14(2)8-7-9-15(21)3/h5-6,10-11,13-15H,4,7-9,12H2,1-3H3/t14-,15+.
What are the key properties of 4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole?
4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole has a molecular weight of 314.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56672883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).