2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one

C12H6BrNO3 — CID 1254875

IUPAC2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccc(Br)o2)nc2ccccc12
InChIInChI=1S/C12H6BrNO3/c13-10-6-5-9(16-10)11-14-8-4-2-1-3-7(8)12(15)17-11/h1-6H
InChIKeyKLVPWMXJWCYAKX-UHFFFAOYSA-N
MW292.09 g/mol
LogP3.21
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one

2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one (PubChem CID 1254875) has the molecular formula C12H6BrNO3 and a molecular weight of 292.09 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one
PubChem CID1254875
Molecular FormulaC12H6BrNO3
Molecular Weight292.09 g/mol
Exact Mass290.95
IUPAC Name2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccc(Br)o2)nc2ccccc12
InChIInChI=1S/C12H6BrNO3/c13-10-6-5-9(16-10)11-14-8-4-2-1-3-7(8)12(15)17-11/h1-6H
InChIKeyKLVPWMXJWCYAKX-UHFFFAOYSA-N
XLogP3.21
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Furan-2-yl)-4-oxo-3,1-benzoxazin-6-yl] acetate
CID 695621
2-(5-bromo-2-furyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
CID 1254022
2-(furan-2-yl)-4H-3,1-benzoxazin-4-one
CID 296003
2-(5-bromo-2-furyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one
CID 1026525
2-(Furan-2-yl)-5-methyl-3,1-benzoxazin-4-one
CID 2812525
2-(5-Bromo-2-furanyl)-6-methyl-3,1-benzoxazin-4-one
CID 2231188
7-Chloro-2-(furan-2-yl)-3,1-benzoxazin-4-one
CID 774493
5-Fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one
CID 2798373
2-Furyl-6-iodo-3,1-benzoxazin-4(3h)-one
CID 129781954
2-(3-Fluorofuran-2-yl)-3,1-benzoxazin-4-one
CID 138966728
7-fluoro-2-(furan-2-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 155926181
6-bromo-2-(furan-2-yl)-4H-3,1-benzoxazin-4-one
CID 744266

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one (CID 1254875) is 2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one is O=c1oc(-c2ccc(Br)o2)nc2ccccc12.
What is the InChIKey of 2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one?
The InChIKey is KLVPWMXJWCYAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrNO3/c13-10-6-5-9(16-10)11-14-8-4-2-1-3-7(8)12(15)17-11/h1-6H.
What are the key properties of 2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one?
2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one has a molecular weight of 292.09 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 1254875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).