[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol

C11H13NO2 — CID 25215804

IUPAC[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESC[C@H]1C(c2ccccc2)=NO[C@@H]1CO
InChIInChI=1S/C11H13NO2/c1-8-10(7-13)14-12-11(8)9-5-3-2-4-6-9/h2-6,8,10,13H,7H2,1H3/t8-,10-/m1/s1
InChIKeyHOYNJZVIJHYDIB-PSASIEDQSA-N
MW191.23 g/mol
LogP1.42
Rot. Bonds2

About [(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol

[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 25215804) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is [(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID25215804
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESC[C@H]1C(c2ccccc2)=NO[C@@H]1CO
InChIInChI=1S/C11H13NO2/c1-8-10(7-13)14-12-11(8)9-5-3-2-4-6-9/h2-6,8,10,13H,7H2,1H3/t8-,10-/m1/s1
InChIKeyHOYNJZVIJHYDIB-PSASIEDQSA-N
XLogP1.42
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 25215804) is [(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol is C[C@H]1C(c2ccccc2)=NO[C@@H]1CO.
What is the InChIKey of [(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is HOYNJZVIJHYDIB-PSASIEDQSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-10(7-13)14-12-11(8)9-5-3-2-4-6-9/h2-6,8,10,13H,7H2,1H3/t8-,10-/m1/s1.
What are the key properties of [(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 191.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 25215804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).