(5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole

C15H12BrNO2 — CID 123530884

IUPAC(5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole
SMILESBrC1=C[C@@H](c2ccc(Oc3ccccc3)cc2)ON1
InChIInChI=1S/C15H12BrNO2/c16-15-10-14(19-17-15)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10,14,17H/t14-/m0/s1
InChIKeyHPHPQMHLQGWUFN-AWEZNQCLSA-N
MW318.17 g/mol
LogP4.29
Rot. Bonds3

About (5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole

(5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 123530884) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is (5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole
PubChem CID123530884
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name(5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole
SMILESBrC1=C[C@@H](c2ccc(Oc3ccccc3)cc2)ON1
InChIInChI=1S/C15H12BrNO2/c16-15-10-14(19-17-15)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10,14,17H/t14-/m0/s1
InChIKeyHPHPQMHLQGWUFN-AWEZNQCLSA-N
XLogP4.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(5S)-3-bromo-2,5-dihydro-1,2-oxazol-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 123818743
3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole
CID 91516612
(5S)-5-(4-phenoxyphenyl)-3-pyrimidin-5-yloxy-2,5-dihydro-1,2-oxazole
CID 123218116
(5S)-5-(4-phenoxyphenyl)-3-(1,2,4-triazol-1-yl)-2,5-dihydro-1,2-oxazole
CID 123743793
6-[[(5R)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]furo[3,2-b]pyridine
CID 123239986
methyl 3-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]benzoate
CID 123865223
5-[[(5S)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-3-carboxamide
CID 123773067
(5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole
CID 123977738
3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole
CID 91473321
(4R)-4-(4-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 171184568
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586

Frequently Asked Questions

What is the IUPAC name of (5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole (CID 123530884) is (5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole is BrC1=C[C@@H](c2ccc(Oc3ccccc3)cc2)ON1.
What is the InChIKey of (5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is HPHPQMHLQGWUFN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-15-10-14(19-17-15)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10,14,17H/t14-/m0/s1.
What are the key properties of (5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole?
(5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 318.17 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-bromo-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123530884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).