1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone

C17H19ClN2O4 — CID 155496867

IUPAC1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2Cl)on1
InChIInChI=1S/C17H19ClN2O4/c1-11-8-12(24-19-11)9-16(22)20-6-7-23-15(10-21)17(20)13-4-2-3-5-14(13)18/h2-5,8,15,17,21H,6-7,9-10H2,1H3/t15-,17-/m0/s1
InChIKeyUGGAAIICJLRUTA-RDJZCZTQSA-N
MW350.80 g/mol
LogP2.14
Rot. Bonds4

About 1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone

1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone (PubChem CID 155496867) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is 1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
PubChem CID155496867
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2Cl)on1
InChIInChI=1S/C17H19ClN2O4/c1-11-8-12(24-19-11)9-16(22)20-6-7-23-15(10-21)17(20)13-4-2-3-5-14(13)18/h2-5,8,15,17,21H,6-7,9-10H2,1H3/t15-,17-/m0/s1
InChIKeyUGGAAIICJLRUTA-RDJZCZTQSA-N
XLogP2.14
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone
CID 157015040
2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155506908
1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 155919651
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 155498562
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(1,2-dimethylpyrrol-3-yl)methanone
CID 155915720
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
CID 157018822
[(2R,3S)-3-(2-chlorophenyl)-4-[(4-methylphenyl)methyl]morpholin-2-yl]methanol
CID 155917841
6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid
CID 155972217
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
CID 134714534
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 155911109
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
2-(2-chlorophenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 56810432

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone (CID 155496867) is 1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone is Cc1cc(CC(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2Cl)on1.
What is the InChIKey of 1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The InChIKey is UGGAAIICJLRUTA-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-11-8-12(24-19-11)9-16(22)20-6-7-23-15(10-21)17(20)13-4-2-3-5-14(13)18/h2-5,8,15,17,21H,6-7,9-10H2,1H3/t15-,17-/m0/s1.
What are the key properties of 1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone has a molecular weight of 350.80 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 155496867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).