3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one

C17H11NO5 — CID 3326572

IUPAC3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one
SMILESC=c1[nH]oc(=O)c1=Cc1ccc(-c2ccc3c(c2)COC3=O)o1
InChIInChI=1S/C17H11NO5/c1-9-14(17(20)23-18-9)7-12-3-5-15(22-12)10-2-4-13-11(6-10)8-21-16(13)19/h2-7,18H,1,8H2
InChIKeyTUFQLVGJNCZELG-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.14
Rot. Bonds2

About 3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one

3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one (PubChem CID 3326572) has the molecular formula C17H11NO5 and a molecular weight of 309.28 g/mol. Its IUPAC name is 3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one
PubChem CID3326572
Molecular FormulaC17H11NO5
Molecular Weight309.28 g/mol
Exact Mass309.06
IUPAC Name3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one
SMILESC=c1[nH]oc(=O)c1=Cc1ccc(-c2ccc3c(c2)COC3=O)o1
InChIInChI=1S/C17H11NO5/c1-9-14(17(20)23-18-9)7-12-3-5-15(22-12)10-2-4-13-11(6-10)8-21-16(13)19/h2-7,18H,1,8H2
InChIKeyTUFQLVGJNCZELG-UHFFFAOYSA-N
XLogP1.14
TPSA85.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one with MolForge

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Related Compounds

(4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 6373254
(E)-2-cyano-3-[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]prop-2-enoic acid
CID 50884174
(4Z)-5-methyl-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-2-(2H-tetrazol-5-yl)pyrazol-3-one
CID 7341819
N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide
CID 143034956
(4Z)-2-(3-chlorophenyl)-5-methyl-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]pyrazol-3-one
CID 5442551
(5E)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]pyridine-3-carbonitrile
CID 6115571
6-[5-[(E)-hydroxyiminomethyl]furan-2-yl]-3H-2-benzofuran-1-one
CID 50887825
(5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-(2-phenylethyl)piperidine-3-carbonitrile
CID 163564222
(4E)-2-(4-fluorophenyl)-5-methyl-4-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]pyrazol-3-one
CID 6522103
5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one
CID 155276243
7-[5-[(E)-hydroxyiminomethyl]furan-2-yl]-1,3-benzodioxin-4-one
CID 50888363
(5Z)-4-methyl-2,6-dioxo-5-[[5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-propylpyridine-3-carbonitrile
CID 50885531

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one?
The IUPAC name of 3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one (CID 3326572) is 3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one.
What is the SMILES notation for 3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one?
The canonical SMILES for 3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one is C=c1[nH]oc(=O)c1=Cc1ccc(-c2ccc3c(c2)COC3=O)o1.
What is the InChIKey of 3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one?
The InChIKey is TUFQLVGJNCZELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO5/c1-9-14(17(20)23-18-9)7-12-3-5-15(22-12)10-2-4-13-11(6-10)8-21-16(13)19/h2-7,18H,1,8H2.
What are the key properties of 3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one?
3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one has a molecular weight of 309.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one is sourced from PubChem (CID 3326572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).