1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea

C10H10BrN3O3 — CID 85469528

IUPAC1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea
SMILESO=C(Nc1ccc(Br)cc1)NN1CCOC1=O
InChIInChI=1S/C10H10BrN3O3/c11-7-1-3-8(4-2-7)12-9(15)13-14-5-6-17-10(14)16/h1-4H,5-6H2,(H2,12,13,15)
InChIKeyHUJPZRSECWAKNM-UHFFFAOYSA-N
MW300.11 g/mol
LogP1.94
Rot. Bonds2

About 1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea

1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea (PubChem CID 85469528) has the molecular formula C10H10BrN3O3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea
PubChem CID85469528
Molecular FormulaC10H10BrN3O3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea
SMILESO=C(Nc1ccc(Br)cc1)NN1CCOC1=O
InChIInChI=1S/C10H10BrN3O3/c11-7-1-3-8(4-2-7)12-9(15)13-14-5-6-17-10(14)16/h1-4H,5-6H2,(H2,12,13,15)
InChIKeyHUJPZRSECWAKNM-UHFFFAOYSA-N
XLogP1.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea (CID 85469528) is 1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea is O=C(Nc1ccc(Br)cc1)NN1CCOC1=O.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea?
The InChIKey is HUJPZRSECWAKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3/c11-7-1-3-8(4-2-7)12-9(15)13-14-5-6-17-10(14)16/h1-4H,5-6H2,(H2,12,13,15).
What are the key properties of 1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea?
1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea has a molecular weight of 300.11 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea is sourced from PubChem (CID 85469528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).