(5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole

C12H9BrN2OS — CID 58126766

IUPAC(5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole
SMILESBrC1=NO[C@H](c2cnc(-c3ccccc3)s2)C1
InChIInChI=1S/C12H9BrN2OS/c13-11-6-9(16-15-11)10-7-14-12(17-10)8-4-2-1-3-5-8/h1-5,7,9H,6H2/t9-/m0/s1
InChIKeyDJSSFNNNFFTWAJ-VIFPVBQESA-N
MW309.19 g/mol
LogP3.98
Rot. Bonds2

About (5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole

(5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 58126766) has the molecular formula C12H9BrN2OS and a molecular weight of 309.19 g/mol. Its IUPAC name is (5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole
PubChem CID58126766
Molecular FormulaC12H9BrN2OS
Molecular Weight309.19 g/mol
Exact Mass307.96
IUPAC Name(5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole
SMILESBrC1=NO[C@H](c2cnc(-c3ccccc3)s2)C1
InChIInChI=1S/C12H9BrN2OS/c13-11-6-9(16-15-11)10-7-14-12(17-10)8-4-2-1-3-5-8/h1-5,7,9H,6H2/t9-/m0/s1
InChIKeyDJSSFNNNFFTWAJ-VIFPVBQESA-N
XLogP3.98
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole (CID 58126766) is (5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole is BrC1=NO[C@H](c2cnc(-c3ccccc3)s2)C1.
What is the InChIKey of (5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is DJSSFNNNFFTWAJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H9BrN2OS/c13-11-6-9(16-15-11)10-7-14-12(17-10)8-4-2-1-3-5-8/h1-5,7,9H,6H2/t9-/m0/s1.
What are the key properties of (5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole?
(5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 309.19 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-bromo-5-(2-phenyl-1,3-thiazol-5-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).