(4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one

C15H10ClNO3 — CID 6373254

IUPAC(4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
SMILESC=c1[nH]oc(=O)/c1=C/c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H10ClNO3/c1-9-13(15(18)20-17-9)8-12-6-7-14(19-12)10-2-4-11(16)5-3-10/h2-8,17H,1H2/b13-8+
InChIKeyNTWARUIGLLLJKX-MDWZMJQESA-N
MW287.70 g/mol
LogP2.12
Rot. Bonds2

About (4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one

(4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one (PubChem CID 6373254) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is (4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
PubChem CID6373254
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name(4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
SMILESC=c1[nH]oc(=O)/c1=C/c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H10ClNO3/c1-9-13(15(18)20-17-9)8-12-6-7-14(19-12)10-2-4-11(16)5-3-10/h2-8,17H,1H2/b13-8+
InChIKeyNTWARUIGLLLJKX-MDWZMJQESA-N
XLogP2.12
TPSA59.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one
CID 3326572
4-[(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoate
CID 2178846
(5Z)-3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6022754
2-methylidene-4-[(5-phenylfuran-2-yl)methylidene]-1,3-oxazolidin-5-one
CID 123208390
1-(4-chlorophenyl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3592544
4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 3631065
(3E)-3-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-(4-methylphenyl)furan-2-one
CID 96884905
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 4287034
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 1352038
(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126130635
(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19672568
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2271798

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The IUPAC name of (4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one (CID 6373254) is (4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one.
What is the SMILES notation for (4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The canonical SMILES for (4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one is C=c1[nH]oc(=O)/c1=C/c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of (4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The InChIKey is NTWARUIGLLLJKX-MDWZMJQESA-N. The full InChI is InChI=1S/C15H10ClNO3/c1-9-13(15(18)20-17-9)8-12-6-7-14(19-12)10-2-4-11(16)5-3-10/h2-8,17H,1H2/b13-8+.
What are the key properties of (4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one?
(4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one has a molecular weight of 287.70 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methylidene-1,2-oxazolidin-5-one is sourced from PubChem (CID 6373254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).