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

C14H13NO2S — CID 10967213

IUPAC[(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOC[C@@H]1N=C(c2cccs2)O[C@H]1c1ccccc1
InChIInChI=1S/C14H13NO2S/c16-9-11-13(10-5-2-1-3-6-10)17-14(15-11)12-7-4-8-18-12/h1-8,11,13,16H,9H2/t11-,13-/m0/s1
InChIKeyLBKQIVCLQIEXDB-AAEUAGOBSA-N
MW259.33 g/mol
LogP2.63
Rot. Bonds3

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

[(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 10967213) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is [(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID10967213
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name[(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOC[C@@H]1N=C(c2cccs2)O[C@H]1c1ccccc1
InChIInChI=1S/C14H13NO2S/c16-9-11-13(10-5-2-1-3-6-10)17-14(15-11)12-7-4-8-18-12/h1-8,11,13,16H,9H2/t11-,13-/m0/s1
InChIKeyLBKQIVCLQIEXDB-AAEUAGOBSA-N
XLogP2.63
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of [(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 10967213) is [(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol is OC[C@@H]1N=C(c2cccs2)O[C@H]1c1ccccc1.
What is the InChIKey of [(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is LBKQIVCLQIEXDB-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-9-11-13(10-5-2-1-3-6-10)17-14(15-11)12-7-4-8-18-12/h1-8,11,13,16H,9H2/t11-,13-/m0/s1.
What are the key properties of [(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
[(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 259.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-phenyl-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 10967213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).