(2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole

C16H14BrNO3S — CID 134947074

IUPAC(2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole
SMILESCS(=O)(=O)N1C=C(c2ccccc2)O[C@@H]1c1cccc(Br)c1
InChIInChI=1S/C16H14BrNO3S/c1-22(19,20)18-11-15(12-6-3-2-4-7-12)21-16(18)13-8-5-9-14(17)10-13/h2-11,16H,1H3/t16-/m1/s1
InChIKeyRQIXFSSPQYQAES-MRXNPFEDSA-N
MW380.26 g/mol
LogP3.74
Rot. Bonds3

About (2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole

(2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole (PubChem CID 134947074) has the molecular formula C16H14BrNO3S and a molecular weight of 380.26 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole
PubChem CID134947074
Molecular FormulaC16H14BrNO3S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC Name(2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole
SMILESCS(=O)(=O)N1C=C(c2ccccc2)O[C@@H]1c1cccc(Br)c1
InChIInChI=1S/C16H14BrNO3S/c1-22(19,20)18-11-15(12-6-3-2-4-7-12)21-16(18)13-8-5-9-14(17)10-13/h2-11,16H,1H3/t16-/m1/s1
InChIKeyRQIXFSSPQYQAES-MRXNPFEDSA-N
XLogP3.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole?
The IUPAC name of (2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole (CID 134947074) is (2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole?
The canonical SMILES for (2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole is CS(=O)(=O)N1C=C(c2ccccc2)O[C@@H]1c1cccc(Br)c1.
What is the InChIKey of (2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole?
The InChIKey is RQIXFSSPQYQAES-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14BrNO3S/c1-22(19,20)18-11-15(12-6-3-2-4-7-12)21-16(18)13-8-5-9-14(17)10-13/h2-11,16H,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole?
(2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole has a molecular weight of 380.26 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenyl)-3-methylsulfonyl-5-phenyl-2H-1,3-oxazole is sourced from PubChem (CID 134947074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).