3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one

C13H11BrN2O2S — CID 25029709

IUPAC3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H11BrN2O2S/c1-8-6-18-13(17)16(8)12-15-11(7-19-12)9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3
InChIKeyIBQUOHLITCCKCV-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.92
Rot. Bonds2

About 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one

3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 25029709) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID25029709
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC Name3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H11BrN2O2S/c1-8-6-18-13(17)16(8)12-15-11(7-19-12)9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3
InChIKeyIBQUOHLITCCKCV-UHFFFAOYSA-N
XLogP3.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one (CID 25029709) is 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one is CC1COC(=O)N1c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is IBQUOHLITCCKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c1-8-6-18-13(17)16(8)12-15-11(7-19-12)9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one?
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 339.21 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 25029709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).