(1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one

C13H15NO3 — CID 11791108

IUPAC(1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one
SMILESCC(=O)[C@H](O)[C@H]1ON=C(c2ccccc2)[C@@H]1C
InChIInChI=1S/C13H15NO3/c1-8-11(10-6-4-3-5-7-10)14-17-13(8)12(16)9(2)15/h3-8,12-13,16H,1-2H3/t8-,12-,13-/m0/s1
InChIKeyPAHRNQBXXQPXSS-HJIKLVIJSA-N
MW233.27 g/mol
LogP1.38
Rot. Bonds3

About (1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one

(1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one (PubChem CID 11791108) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one.

Molecular Properties

Compound Name(1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one
PubChem CID11791108
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one
SMILESCC(=O)[C@H](O)[C@H]1ON=C(c2ccccc2)[C@@H]1C
InChIInChI=1S/C13H15NO3/c1-8-11(10-6-4-3-5-7-10)14-17-13(8)12(16)9(2)15/h3-8,12-13,16H,1-2H3/t8-,12-,13-/m0/s1
InChIKeyPAHRNQBXXQPXSS-HJIKLVIJSA-N
XLogP1.38
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one?
The IUPAC name of (1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one (CID 11791108) is (1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one.
What is the SMILES notation for (1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one?
The canonical SMILES for (1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one is CC(=O)[C@H](O)[C@H]1ON=C(c2ccccc2)[C@@H]1C.
What is the InChIKey of (1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one?
The InChIKey is PAHRNQBXXQPXSS-HJIKLVIJSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-11(10-6-4-3-5-7-10)14-17-13(8)12(16)9(2)15/h3-8,12-13,16H,1-2H3/t8-,12-,13-/m0/s1.
What are the key properties of (1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one?
(1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hydroxy-1-[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one is sourced from PubChem (CID 11791108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).