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

C14H7BrClNO3 — CID 7038457

IUPAC(4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(Br)o1
InChIInChI=1S/C14H7BrClNO3/c15-12-6-5-8(19-12)7-11-14(18)20-13(17-11)9-3-1-2-4-10(9)16/h1-7H/b11-7+
InChIKeyFRLXDIIRACPUNK-YRNVUSSQSA-N
MW352.57 g/mol
LogP4.04
Rot. Bonds2

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

(4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one (PubChem CID 7038457) has the molecular formula C14H7BrClNO3 and a molecular weight of 352.57 g/mol. Its IUPAC name is (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
PubChem CID7038457
Molecular FormulaC14H7BrClNO3
Molecular Weight352.57 g/mol
Exact Mass350.93
IUPAC Name(4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(Br)o1
InChIInChI=1S/C14H7BrClNO3/c15-12-6-5-8(19-12)7-11-14(18)20-13(17-11)9-3-1-2-4-10(9)16/h1-7H/b11-7+
InChIKeyFRLXDIIRACPUNK-YRNVUSSQSA-N
XLogP4.04
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-(2-chlorophenyl)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19664302
(4E)-2-(2-chlorophenyl)-4-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 6525805
(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 19664025
(4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 5441061
2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 1103695
4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 3538357
2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one
CID 1270629
(4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one
CID 5407065
2-(2-chloro-5-iodophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 3095638
2-(2-chlorophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
CID 3844182
(4Z)-2-(2-chlorophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
CID 819907
ethyl 4-[5-[[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]furan-2-yl]benzoate
CID 2934836

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one (CID 7038457) is (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one is O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(Br)o1.
What is the InChIKey of (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one?
The InChIKey is FRLXDIIRACPUNK-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H7BrClNO3/c15-12-6-5-8(19-12)7-11-14(18)20-13(17-11)9-3-1-2-4-10(9)16/h1-7H/b11-7+.
What are the key properties of (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one?
(4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one has a molecular weight of 352.57 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 7038457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).