1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone

C19H22N2O5 — CID 24793055

IUPAC1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)no2)c1
InChIInChI=1S/C19H22N2O5/c1-12-9-21(10-13(2)25-12)19(23)18-8-17(26-20-18)11-24-16-6-4-5-15(7-16)14(3)22/h4-8,12-13H,9-11H2,1-3H3/t12-,13+
InChIKeyTWSOUVWKIXIAKL-BETUJISGSA-N
MW358.39 g/mol
LogP2.71
Rot. Bonds5

About 1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone

1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone (PubChem CID 24793055) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
PubChem CID24793055
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)no2)c1
InChIInChI=1S/C19H22N2O5/c1-12-9-21(10-13(2)25-12)19(23)18-8-17(26-20-18)11-24-16-6-4-5-15(7-16)14(3)22/h4-8,12-13H,9-11H2,1-3H3/t12-,13+
InChIKeyTWSOUVWKIXIAKL-BETUJISGSA-N
XLogP2.71
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone (CID 24793055) is 1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone is CC(=O)c1cccc(OCc2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)no2)c1.
What is the InChIKey of 1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
The InChIKey is TWSOUVWKIXIAKL-BETUJISGSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12-9-21(10-13(2)25-12)19(23)18-8-17(26-20-18)11-24-16-6-4-5-15(7-16)14(3)22/h4-8,12-13H,9-11H2,1-3H3/t12-,13+.
What are the key properties of 1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone?
1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone has a molecular weight of 358.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 24793055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).