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

C16H15NO2 — CID 15259255

IUPAC[(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOC[C@@H]1N=C(c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C16H15NO2/c18-11-14-15(12-7-3-1-4-8-12)19-16(17-14)13-9-5-2-6-10-13/h1-10,14-15,18H,11H2/t14-,15-/m0/s1
InChIKeyARLAZZQDTBOFOL-GJZGRUSLSA-N
MW253.30 g/mol
LogP2.57
Rot. Bonds3

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

[(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 15259255) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is [(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID15259255
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name[(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOC[C@@H]1N=C(c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C16H15NO2/c18-11-14-15(12-7-3-1-4-8-12)19-16(17-14)13-9-5-2-6-10-13/h1-10,14-15,18H,11H2/t14-,15-/m0/s1
InChIKeyARLAZZQDTBOFOL-GJZGRUSLSA-N
XLogP2.57
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of [(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 15259255) is [(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is OC[C@@H]1N=C(c2ccccc2)O[C@H]1c1ccccc1.
What is the InChIKey of [(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is ARLAZZQDTBOFOL-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H15NO2/c18-11-14-15(12-7-3-1-4-8-12)19-16(17-14)13-9-5-2-6-10-13/h1-10,14-15,18H,11H2/t14-,15-/m0/s1.
What are the key properties of [(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
[(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 253.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 15259255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).