[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

C18H22N2O4 — CID 134698352

IUPAC[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-12(2)17-15(19-11-24-17)18(22)20-8-9-23-14(10-21)16(20)13-6-4-3-5-7-13/h3-7,11-12,14,16,21H,8-10H2,1-2H3/t14-,16-/m1/s1
InChIKeyMVHSYTDHPDLNPM-GDBMZVCRSA-N
MW330.38 g/mol
LogP2.37
Rot. Bonds4

About [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 134698352) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID134698352
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-12(2)17-15(19-11-24-17)18(22)20-8-9-23-14(10-21)16(20)13-6-4-3-5-7-13/h3-7,11-12,14,16,21H,8-10H2,1-2H3/t14-,16-/m1/s1
InChIKeyMVHSYTDHPDLNPM-GDBMZVCRSA-N
XLogP2.37
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 97023947
(2,6-dimethyl-3-pyridinyl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134712913
(2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 155507363
3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one
CID 134695483
7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one
CID 86933702
(2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 155916065
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 134711695
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 134708065
N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide
CID 134695894
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 134713318
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 134710467
[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 155909009

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 134698352) is [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is CC(C)c1ocnc1C(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1.
What is the InChIKey of [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is MVHSYTDHPDLNPM-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(2)17-15(19-11-24-17)18(22)20-8-9-23-14(10-21)16(20)13-6-4-3-5-7-13/h3-7,11-12,14,16,21H,8-10H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 330.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 134698352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).