3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one

C10H8BrNO3 — CID 91522844

IUPAC3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one
SMILESO=c1occ(O)n1Cc1ccc(Br)cc1
InChIInChI=1S/C10H8BrNO3/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4,6,13H,5H2
InChIKeyXTTKMZHJJSUFFT-UHFFFAOYSA-N
MW270.08 g/mol
LogP1.96
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one

3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one (PubChem CID 91522844) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one
PubChem CID91522844
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one
SMILESO=c1occ(O)n1Cc1ccc(Br)cc1
InChIInChI=1S/C10H8BrNO3/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4,6,13H,5H2
InChIKeyXTTKMZHJJSUFFT-UHFFFAOYSA-N
XLogP1.96
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one
CID 91480560
1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one
CID 91320968
1-[(4-bromophenyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541216
1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
CID 10765948
1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one
CID 90902067
4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile
CID 91543065
4-[(4-bromophenyl)methyl]-2-ethyl-1,2,4-thiadiazolidine-3,5-dione
CID 171616643
3-benzyl-4-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one
CID 71513508
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 55106469
3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one
CID 103961993
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638416

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one?
The IUPAC name of 3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one (CID 91522844) is 3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one is O=c1occ(O)n1Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one?
The InChIKey is XTTKMZHJJSUFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4,6,13H,5H2.
What are the key properties of 3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one?
3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one has a molecular weight of 270.08 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one is sourced from PubChem (CID 91522844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).