2,4-bis(furan-2-yl)-1,3-oxazin-6-one

C12H7NO4 — CID 3718000

IUPAC2,4-bis(furan-2-yl)-1,3-oxazin-6-one
SMILESO=c1cc(-c2ccco2)nc(-c2ccco2)o1
InChIInChI=1S/C12H7NO4/c14-11-7-8(9-3-1-5-15-9)13-12(17-11)10-4-2-6-16-10/h1-7H
InChIKeyPRXYUSHWJZSSNB-UHFFFAOYSA-N
MW229.19 g/mol
LogP2.55
Rot. Bonds2

About 2,4-bis(furan-2-yl)-1,3-oxazin-6-one

2,4-bis(furan-2-yl)-1,3-oxazin-6-one (PubChem CID 3718000) has the molecular formula C12H7NO4 and a molecular weight of 229.19 g/mol. Its IUPAC name is 2,4-bis(furan-2-yl)-1,3-oxazin-6-one.

Molecular Properties

Compound Name2,4-bis(furan-2-yl)-1,3-oxazin-6-one
PubChem CID3718000
Molecular FormulaC12H7NO4
Molecular Weight229.19 g/mol
Exact Mass229.04
IUPAC Name2,4-bis(furan-2-yl)-1,3-oxazin-6-one
SMILESO=c1cc(-c2ccco2)nc(-c2ccco2)o1
InChIInChI=1S/C12H7NO4/c14-11-7-8(9-3-1-5-15-9)13-12(17-11)10-4-2-6-16-10/h1-7H
InChIKeyPRXYUSHWJZSSNB-UHFFFAOYSA-N
XLogP2.55
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Furyl-4-ethoxymethylene-5-oxazolone
CID 3036175
2-(5-Bromo(2-furyl))-4-(2-furylmethylene)-1,3-oxazolin-5-one
CID 5409061
(4Z)-2-(Furan-2-YL)-4-[(furan-2-YL)methylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 6509188
4-(Furan-2-yl)-2-methyl-1,3-oxazin-6-one
CID 132519842
(E)-1-(furan-2-yl)-N-[furan-2-yl(trimethylstannyloxy)methyl]methanimine
CID 134877184
4-(Ethoxymethylene)-2-(2-furanyl)-5(4H)-oxazolone
CID 133509
2-(2-furyl)-4-[(5-methyl-2-furyl)methylene]-1,3-oxazol-5(4H)-one
CID 832140
2-(2,3-Dihydrofuran-2-yl)-4-(furan-2-yl)-1,3-oxazin-6-one
CID 69629701
4-[(5-Bromofuran-2-yl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 805754
(4Z)-2-(5-bromofuran-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 818200
2-(Furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 2839062
2-(5-Bromofuran-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 3103393

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(furan-2-yl)-1,3-oxazin-6-one?
The IUPAC name of 2,4-bis(furan-2-yl)-1,3-oxazin-6-one (CID 3718000) is 2,4-bis(furan-2-yl)-1,3-oxazin-6-one.
What is the SMILES notation for 2,4-bis(furan-2-yl)-1,3-oxazin-6-one?
The canonical SMILES for 2,4-bis(furan-2-yl)-1,3-oxazin-6-one is O=c1cc(-c2ccco2)nc(-c2ccco2)o1.
What is the InChIKey of 2,4-bis(furan-2-yl)-1,3-oxazin-6-one?
The InChIKey is PRXYUSHWJZSSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO4/c14-11-7-8(9-3-1-5-15-9)13-12(17-11)10-4-2-6-16-10/h1-7H.
What are the key properties of 2,4-bis(furan-2-yl)-1,3-oxazin-6-one?
2,4-bis(furan-2-yl)-1,3-oxazin-6-one has a molecular weight of 229.19 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(furan-2-yl)-1,3-oxazin-6-one is sourced from PubChem (CID 3718000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).