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

C15H13NO2 — CID 139255731

IUPAC4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol
SMILESOc1ccc(C2=NC[C@H](c3ccccc3)O2)cc1
InChIInChI=1S/C15H13NO2/c17-13-8-6-12(7-9-13)15-16-10-14(18-15)11-4-2-1-3-5-11/h1-9,14,17H,10H2/t14-/m1/s1
InChIKeyZIRGVXKBLCKLPE-CQSZACIVSA-N
MW239.27 g/mol
LogP2.91
Rot. Bonds2

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

4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol (PubChem CID 139255731) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol.

Molecular Properties

Compound Name4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol
PubChem CID139255731
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol
SMILESOc1ccc(C2=NC[C@H](c3ccccc3)O2)cc1
InChIInChI=1S/C15H13NO2/c17-13-8-6-12(7-9-13)15-16-10-14(18-15)11-4-2-1-3-5-11/h1-9,14,17H,10H2/t14-/m1/s1
InChIKeyZIRGVXKBLCKLPE-CQSZACIVSA-N
XLogP2.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol?
The IUPAC name of 4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol (CID 139255731) is 4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol.
What is the SMILES notation for 4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol?
The canonical SMILES for 4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol is Oc1ccc(C2=NC[C@H](c3ccccc3)O2)cc1.
What is the InChIKey of 4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol?
The InChIKey is ZIRGVXKBLCKLPE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13NO2/c17-13-8-6-12(7-9-13)15-16-10-14(18-15)11-4-2-1-3-5-11/h1-9,14,17H,10H2/t14-/m1/s1.
What are the key properties of 4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol?
4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol has a molecular weight of 239.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol is sourced from PubChem (CID 139255731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).