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

C10H11NO2 — CID 820796

IUPAC[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOC[C@@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H11NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/t9-/m0/s1
InChIKeyGXUGWAXJXGJRAH-VIFPVBQESA-N
MW177.20 g/mol
LogP1.17
Rot. Bonds2

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

[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 820796) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID820796
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOC[C@@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H11NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/t9-/m0/s1
InChIKeyGXUGWAXJXGJRAH-VIFPVBQESA-N
XLogP1.17
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 820796) is [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol is OC[C@@H]1CC(c2ccccc2)=NO1.
What is the InChIKey of [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is GXUGWAXJXGJRAH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2/t9-/m0/s1.
What are the key properties of [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 177.20 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 820796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).