3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one

C14H18N2O3 — CID 25377942

IUPAC3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one
SMILESC[C@@H]1CN(Cn2c(=O)oc3ccccc32)C[C@H](C)O1
InChIInChI=1S/C14H18N2O3/c1-10-7-15(8-11(2)18-10)9-16-12-5-3-4-6-13(12)19-14(16)17/h3-6,10-11H,7-9H2,1-2H3/t10-,11+
InChIKeyPPVIDBTYHHQZRK-PHIMTYICSA-N
MW262.31 g/mol
LogP1.66
Rot. Bonds2

About 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one

3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one (PubChem CID 25377942) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one
PubChem CID25377942
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one
SMILESC[C@@H]1CN(Cn2c(=O)oc3ccccc32)C[C@H](C)O1
InChIInChI=1S/C14H18N2O3/c1-10-7-15(8-11(2)18-10)9-16-12-5-3-4-6-13(12)19-14(16)17/h3-6,10-11H,7-9H2,1-2H3/t10-,11+
InChIKeyPPVIDBTYHHQZRK-PHIMTYICSA-N
XLogP1.66
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one (CID 25377942) is 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one is C[C@@H]1CN(Cn2c(=O)oc3ccccc32)C[C@H](C)O1.
What is the InChIKey of 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is PPVIDBTYHHQZRK-PHIMTYICSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-7-15(8-11(2)18-10)9-16-12-5-3-4-6-13(12)19-14(16)17/h3-6,10-11H,7-9H2,1-2H3/t10-,11+.
What are the key properties of 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one?
3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 25377942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).