(4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one

C13H15NO3 — CID 11770354

IUPAC(4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one
SMILESCC1=N[C@H]([C@H](C)OCc2ccccc2)C(=O)O1
InChIInChI=1S/C13H15NO3/c1-9(12-13(15)17-10(2)14-12)16-8-11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3/t9-,12+/m0/s1
InChIKeyAZRLKEQNLZKGSP-JOYOIKCWSA-N
MW233.27 g/mol
LogP1.94
Rot. Bonds4

About (4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one

(4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one (PubChem CID 11770354) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one
PubChem CID11770354
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one
SMILESCC1=N[C@H]([C@H](C)OCc2ccccc2)C(=O)O1
InChIInChI=1S/C13H15NO3/c1-9(12-13(15)17-10(2)14-12)16-8-11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3/t9-,12+/m0/s1
InChIKeyAZRLKEQNLZKGSP-JOYOIKCWSA-N
XLogP1.94
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545
2-[(1R)-1-phenylmethoxyethyl]oxirane
CID 88860566
benzyl (4S)-2,5-dioxo-4-(1-phenylmethoxyethyl)-1,3-oxazolidine-3-carboxylate
CID 164676169
(2S,5S)-2-[(1S)-1-phenylmethoxyethyl]-5-propan-2-yloxolan-3-one
CID 15360166
1-phenylmethoxyethylphosphonic acid
CID 174787824
5,5-dimethyl-2-(1-phenylmethoxyethyl)-1,3-dioxane
CID 67722972
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
1-chloroethoxymethylbenzene
CID 12510706
3-hydroxy-5-(1-phenylmethoxyethyl)cyclohex-2-en-1-one
CID 144636079
2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid
CID 19933355
(3R,3aS,6aS)-1-benzyl-3-[(1S)-1-phenylmethoxyethyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one
CID 14660685
(4R)-3,3-dimethyl-4-[(1S)-2-methyl-1-phenylmethoxypropyl]oxetan-2-one
CID 122395053

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one?
The IUPAC name of (4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one (CID 11770354) is (4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for (4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one is CC1=N[C@H]([C@H](C)OCc2ccccc2)C(=O)O1.
What is the InChIKey of (4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one?
The InChIKey is AZRLKEQNLZKGSP-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(12-13(15)17-10(2)14-12)16-8-11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3/t9-,12+/m0/s1.
What are the key properties of (4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one?
(4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one has a molecular weight of 233.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 11770354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).