(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone

C18H22N2O3 — CID 95142810

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1
InChIInChI=1S/C18H22N2O3/c1-4-15-17(13(3)23-19-15)18(21)20-10-12(2)22-16(11-20)14-8-6-5-7-9-14/h5-9,12,16H,4,10-11H2,1-3H3/t12-,16-/m0/s1
InChIKeyZLKMQSNZEDQVRS-LRDDRELGSA-N
MW314.38 g/mol
LogP3.15
Rot. Bonds3

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 95142810) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
PubChem CID95142810
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1
InChIInChI=1S/C18H22N2O3/c1-4-15-17(13(3)23-19-15)18(21)20-10-12(2)22-16(11-20)14-8-6-5-7-9-14/h5-9,12,16H,4,10-11H2,1-3H3/t12-,16-/m0/s1
InChIKeyZLKMQSNZEDQVRS-LRDDRELGSA-N
XLogP3.15
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914211
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134701122
(4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95583727
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 700898
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 70718276
1-[2,4-dimethyl-5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 94812298
[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 33363652
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone (CID 95142810) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone is CCc1noc(C)c1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is ZLKMQSNZEDQVRS-LRDDRELGSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-15-17(13(3)23-19-15)18(21)20-10-12(2)22-16(11-20)14-8-6-5-7-9-14/h5-9,12,16H,4,10-11H2,1-3H3/t12-,16-/m0/s1.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 314.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 95142810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).