6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one

C12H8BrNO4 — CID 106855347

IUPAC6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(C(O)c3ccoc3Br)cc2o1
InChIInChI=1S/C12H8BrNO4/c13-11-7(3-4-17-11)10(15)6-1-2-8-9(5-6)18-12(16)14-8/h1-5,10,15H,(H,14,16)
InChIKeyUOBCFYMCCLYADC-UHFFFAOYSA-N
MW310.10 g/mol
LogP2.56
Rot. Bonds2

About 6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one

6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one (PubChem CID 106855347) has the molecular formula C12H8BrNO4 and a molecular weight of 310.10 g/mol. Its IUPAC name is 6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
PubChem CID106855347
Molecular FormulaC12H8BrNO4
Molecular Weight310.10 g/mol
Exact Mass308.96
IUPAC Name6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(C(O)c3ccoc3Br)cc2o1
InChIInChI=1S/C12H8BrNO4/c13-11-7(3-4-17-11)10(15)6-1-2-8-9(5-6)18-12(16)14-8/h1-5,10,15H,(H,14,16)
InChIKeyUOBCFYMCCLYADC-UHFFFAOYSA-N
XLogP2.56
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.10
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[hydroxy-(3-methylfuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089347
6-[(3-bromo-4-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 81475814
6-[bromo-(2-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61097763
6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61089330
6-[hydroxy(pyridin-4-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114996939
6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 81477930
6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61089170
6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089164
6-[(4-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61087841
6-(1-bromo-2-oxopropyl)-3H-1,3-benzoxazol-2-one
CID 116859829
6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089349
6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43322363

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one (CID 106855347) is 6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(C(O)c3ccoc3Br)cc2o1.
What is the InChIKey of 6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is UOBCFYMCCLYADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO4/c13-11-7(3-4-17-11)10(15)6-1-2-8-9(5-6)18-12(16)14-8/h1-5,10,15H,(H,14,16).
What are the key properties of 6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 310.10 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 106855347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).