(5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole

C13H10BrNOS — CID 123977738

IUPAC(5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole
SMILESBrC1=C[C@H](c2cc(-c3ccccc3)cs2)ON1
InChIInChI=1S/C13H10BrNOS/c14-13-7-11(16-15-13)12-6-10(8-17-12)9-4-2-1-3-5-9/h1-8,11,15H/t11-/m1/s1
InChIKeyRHPQXOXPKKGWID-LLVKDONJSA-N
MW308.20 g/mol
LogP4.23
Rot. Bonds2

About (5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole

(5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole (PubChem CID 123977738) has the molecular formula C13H10BrNOS and a molecular weight of 308.20 g/mol. Its IUPAC name is (5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole
PubChem CID123977738
Molecular FormulaC13H10BrNOS
Molecular Weight308.20 g/mol
Exact Mass306.97
IUPAC Name(5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole
SMILESBrC1=C[C@H](c2cc(-c3ccccc3)cs2)ON1
InChIInChI=1S/C13H10BrNOS/c14-13-7-11(16-15-13)12-6-10(8-17-12)9-4-2-1-3-5-9/h1-8,11,15H/t11-/m1/s1
InChIKeyRHPQXOXPKKGWID-LLVKDONJSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 54.23
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

3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole
CID 91473321
2-[4-[(5S)-3-bromo-2,5-dihydro-1,2-oxazol-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 123818743
2,4-diphenylthiophene
CID 520616
4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene
CID 118927379
4-phenylthiophen-2-amine;hydrochloride
CID 90309032
(5S)-2-methyl-5-(4-phenylthiophen-2-yl)-1,2,6-thiadiazinane 1-oxide
CID 142420180
1-bromo-3-phenylbenzene
CID 16449
dibenzyl 2,6-dimethyl-4-(4-phenylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 46227418
2-(4-phenylthiophen-2-yl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one
CID 71890865
[4-(4-phenylphenyl)thiophen-2-yl]hydrazine
CID 82056594
benzene;tris(1,1'-biphenyl)
CID 162155747
2-bromo-3-(3-phenylphenyl)phenol
CID 174643694

Frequently Asked Questions

What is the IUPAC name of (5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole (CID 123977738) is (5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole is BrC1=C[C@H](c2cc(-c3ccccc3)cs2)ON1.
What is the InChIKey of (5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole?
The InChIKey is RHPQXOXPKKGWID-LLVKDONJSA-N. The full InChI is InChI=1S/C13H10BrNOS/c14-13-7-11(16-15-13)12-6-10(8-17-12)9-4-2-1-3-5-9/h1-8,11,15H/t11-/m1/s1.
What are the key properties of (5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole?
(5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole has a molecular weight of 308.20 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-bromo-5-(4-phenylthiophen-2-yl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123977738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).