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

C12H15NO2 — CID 11041893

IUPAC[(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESCCC1=N[C@@H](CO)[C@H](c2ccccc2)O1
InChIInChI=1S/C12H15NO2/c1-2-11-13-10(8-14)12(15-11)9-6-4-3-5-7-9/h3-7,10,12,14H,2,8H2,1H3/t10-,12-/m0/s1
InChIKeyGZOYBTRDWOUZTG-JQWIXIFHSA-N
MW205.26 g/mol
LogP1.93
Rot. Bonds3

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

[(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 11041893) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID11041893
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESCCC1=N[C@@H](CO)[C@H](c2ccccc2)O1
InChIInChI=1S/C12H15NO2/c1-2-11-13-10(8-14)12(15-11)9-6-4-3-5-7-9/h3-7,10,12,14H,2,8H2,1H3/t10-,12-/m0/s1
InChIKeyGZOYBTRDWOUZTG-JQWIXIFHSA-N
XLogP1.93
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of [(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 11041893) is [(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is CCC1=N[C@@H](CO)[C@H](c2ccccc2)O1.
What is the InChIKey of [(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is GZOYBTRDWOUZTG-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-11-13-10(8-14)12(15-11)9-6-4-3-5-7-9/h3-7,10,12,14H,2,8H2,1H3/t10-,12-/m0/s1.
What are the key properties of [(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
[(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 205.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 11041893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).