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

C18H22N2O4 — CID 26400959

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone
SMILESCOc1cccc(Cc2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)on2)c1
InChIInChI=1S/C18H22N2O4/c1-12-10-20(11-13(2)23-12)18(21)17-9-15(19-24-17)7-14-5-4-6-16(8-14)22-3/h4-6,8-9,12-13H,7,10-11H2,1-3H3/t12-,13+
InChIKeyZUWAKQXYQXVRFM-BETUJISGSA-N
MW330.38 g/mol
LogP2.52
Rot. Bonds4

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

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone (PubChem CID 26400959) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone
PubChem CID26400959
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone
SMILESCOc1cccc(Cc2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)on2)c1
InChIInChI=1S/C18H22N2O4/c1-12-10-20(11-13(2)23-12)18(21)17-9-15(19-24-17)7-14-5-4-6-16(8-14)22-3/h4-6,8-9,12-13H,7,10-11H2,1-3H3/t12-,13+
InChIKeyZUWAKQXYQXVRFM-BETUJISGSA-N
XLogP2.52
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 47985084
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108900892
(2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 90574055
[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 125161463
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 43016854
(2,6-dimethylmorpholin-4-yl)-[3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methylphenyl]methanone
CID 5153170
[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92599802
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110706988
1-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 92584402
(3aS,6aR)-5-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 167751118
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone (CID 26400959) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone is COc1cccc(Cc2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)on2)c1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone?
The InChIKey is ZUWAKQXYQXVRFM-BETUJISGSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-10-20(11-13(2)23-12)18(21)17-9-15(19-24-17)7-14-5-4-6-16(8-14)22-3/h4-6,8-9,12-13H,7,10-11H2,1-3H3/t12-,13+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone has a molecular weight of 330.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 26400959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).