2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one

C15H10BrNO4 — CID 3589005

IUPAC2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1cccc(C=C2N=C(c3ccc(Br)o3)OC2=O)c1
InChIInChI=1S/C15H10BrNO4/c1-19-10-4-2-3-9(7-10)8-11-15(18)21-14(17-11)12-5-6-13(16)20-12/h2-8H,1H3
InChIKeyICCALIAKGJTPJK-UHFFFAOYSA-N
MW348.15 g/mol
LogP3.40
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one

2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 3589005) has the molecular formula C15H10BrNO4 and a molecular weight of 348.15 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID3589005
Molecular FormulaC15H10BrNO4
Molecular Weight348.15 g/mol
Exact Mass346.98
IUPAC Name2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1cccc(C=C2N=C(c3ccc(Br)o3)OC2=O)c1
InChIInChI=1S/C15H10BrNO4/c1-19-10-4-2-3-9(7-10)8-11-15(18)21-14(17-11)12-5-6-13(16)20-12/h2-8H,1H3
InChIKeyICCALIAKGJTPJK-UHFFFAOYSA-N
XLogP3.40
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 53.40
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

2-(4-bromophenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3989988
(4Z)-2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6526771
(4Z)-2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2258676
(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
CID 2687109
[3-[(Z)-[2-(2-bromo-4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 6525739
(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 6060188
4-[(3-chlorophenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 3966448
(4Z)-2-(2,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 831181
methanol;(4E)-4-[(3-methoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 159912770
2-(2,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3109549
(4E)-4-[(3-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 6157508
2-(4-butoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3652985

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 3589005) is 2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one is COc1cccc(C=C2N=C(c3ccc(Br)o3)OC2=O)c1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is ICCALIAKGJTPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO4/c1-19-10-4-2-3-9(7-10)8-11-15(18)21-14(17-11)12-5-6-13(16)20-12/h2-8H,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one?
2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 348.15 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 3589005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).