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

C10H11NO2 — CID 130928451

IUPAC[(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOC[C@@H]1N=CO[C@H]1c1ccccc1
InChIInChI=1S/C10H11NO2/c12-6-9-10(13-7-11-9)8-4-2-1-3-5-8/h1-5,7,9-10,12H,6H2/t9-,10-/m0/s1
InChIKeyQHUBBHOHWSXHHZ-UWVGGRQHSA-N
MW177.20 g/mol
LogP1.15
Rot. Bonds2

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

[(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 130928451) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is [(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID130928451
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name[(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOC[C@@H]1N=CO[C@H]1c1ccccc1
InChIInChI=1S/C10H11NO2/c12-6-9-10(13-7-11-9)8-4-2-1-3-5-8/h1-5,7,9-10,12H,6H2/t9-,10-/m0/s1
InChIKeyQHUBBHOHWSXHHZ-UWVGGRQHSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 15259255
[(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 10967213
[(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 6937667
tert-butyl (4S,5R)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14433526
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
4-phenyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 121010562
(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 101245141
[(4R)-5,5-bis(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 121016088
[(3R,5S)-4-iodo-5-phenyloxolan-3-yl]methanol
CID 101367398

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of [(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 130928451) is [(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is OC[C@@H]1N=CO[C@H]1c1ccccc1.
What is the InChIKey of [(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is QHUBBHOHWSXHHZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-9-10(13-7-11-9)8-4-2-1-3-5-8/h1-5,7,9-10,12H,6H2/t9-,10-/m0/s1.
What are the key properties of [(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
[(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 177.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 130928451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).