2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone

C19H24N2O3 — CID 100891584

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C19H24N2O3/c1-12-11-23-19(16-8-6-5-7-9-16)14(3)21(12)18(22)10-17-13(2)20-24-15(17)4/h5-9,12,14,19H,10-11H2,1-4H3/t12-,14-,19+/m1/s1
InChIKeyKFMJDEUKSMIZIE-TVZGQMOCSA-N
MW328.41 g/mol
LogP3.21
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone (PubChem CID 100891584) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone
PubChem CID100891584
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C19H24N2O3/c1-12-11-23-19(16-8-6-5-7-9-16)14(3)21(12)18(22)10-17-13(2)20-24-15(17)4/h5-9,12,14,19H,10-11H2,1-4H3/t12-,14-,19+/m1/s1
InChIKeyKFMJDEUKSMIZIE-TVZGQMOCSA-N
XLogP3.21
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone (CID 100891584) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone is Cc1noc(C)c1CC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone?
The InChIKey is KFMJDEUKSMIZIE-TVZGQMOCSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-11-23-19(16-8-6-5-7-9-16)14(3)21(12)18(22)10-17-13(2)20-24-15(17)4/h5-9,12,14,19H,10-11H2,1-4H3/t12-,14-,19+/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone has a molecular weight of 328.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone is sourced from PubChem (CID 100891584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).