(4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one

C12H7NO4 — CID 6509188

IUPAC(4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C\c1ccco1
InChIInChI=1S/C12H7NO4/c14-12-9(7-8-3-1-5-15-8)13-11(17-12)10-4-2-6-16-10/h1-7H/b9-7-
InChIKeyRWLFUPQCUCDQER-CLFYSBASSA-N
MW229.19 g/mol
LogP2.22
Rot. Bonds2

About (4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one

(4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 6509188) has the molecular formula C12H7NO4 and a molecular weight of 229.19 g/mol. Its IUPAC name is (4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID6509188
Molecular FormulaC12H7NO4
Molecular Weight229.19 g/mol
Exact Mass229.04
IUPAC Name(4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C\c1ccco1
InChIInChI=1S/C12H7NO4/c14-12-9(7-8-3-1-5-15-8)13-11(17-12)10-4-2-6-16-10/h1-7H/b9-7-
InChIKeyRWLFUPQCUCDQER-CLFYSBASSA-N
XLogP2.22
TPSA64.94 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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-(2-Furylmethylene)-2-methyl-1,3-oxazol-5(4H)-one
CID 1550242
2,4-Bis(furan-2-yl)-1,3-oxazin-6-one
CID 3718000
(4E)-4-[(3-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 867063
(4E)-4-[(2-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 6108753
(4E)-4-[(4-fluorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 92142177
2-(2-Furyl)-2-oxazoline
CID 11332502
4-(Ethoxymethylene)-2-(2-furanyl)-5(4H)-oxazolone
CID 133509
2-Furyl-4-ethoxymethylene-5-oxazolone
CID 3036175
2-(5-Bromo(2-furyl))-4-(2-furylmethylene)-1,3-oxazolin-5-one
CID 5409061
(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 6048646
(4E)-2-(furan-2-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6373728
(4E)-2-(furan-2-yl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 6386767

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (CID 6509188) is (4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is O=C1OC(c2ccco2)=N/C1=C\c1ccco1.
What is the InChIKey of (4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is RWLFUPQCUCDQER-CLFYSBASSA-N. The full InChI is InChI=1S/C12H7NO4/c14-12-9(7-8-3-1-5-15-8)13-11(17-12)10-4-2-6-16-10/h1-7H/b9-7-.
What are the key properties of (4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 229.19 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 6509188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).