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

C15H14N2O2 — CID 6937667

IUPAC[(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOC[C@@H]1N=C(c2ccccn2)O[C@@H]1c1ccccc1
InChIInChI=1S/C15H14N2O2/c18-10-13-14(11-6-2-1-3-7-11)19-15(17-13)12-8-4-5-9-16-12/h1-9,13-14,18H,10H2/t13-,14+/m0/s1
InChIKeyFBXZTVLHMLAKBJ-UONOGXRCSA-N
MW254.29 g/mol
LogP1.96
Rot. Bonds3

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

[(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 6937667) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is [(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID6937667
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name[(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOC[C@@H]1N=C(c2ccccn2)O[C@@H]1c1ccccc1
InChIInChI=1S/C15H14N2O2/c18-10-13-14(11-6-2-1-3-7-11)19-15(17-13)12-8-4-5-9-16-12/h1-9,13-14,18H,10H2/t13-,14+/m0/s1
InChIKeyFBXZTVLHMLAKBJ-UONOGXRCSA-N
XLogP1.96
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of [(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 6937667) is [(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol is OC[C@@H]1N=C(c2ccccn2)O[C@@H]1c1ccccc1.
What is the InChIKey of [(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is FBXZTVLHMLAKBJ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-10-13-14(11-6-2-1-3-7-11)19-15(17-13)12-8-4-5-9-16-12/h1-9,13-14,18H,10H2/t13-,14+/m0/s1.
What are the key properties of [(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
[(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 254.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 6937667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).