(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one

C14H8BrNO2S — CID 5407066

IUPAC(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C\c1ccc(Br)s1
InChIInChI=1S/C14H8BrNO2S/c15-12-7-6-10(19-12)8-11-14(17)18-13(16-11)9-4-2-1-3-5-9/h1-8H/b11-8-
InChIKeyBBWQIVHLOMQZCT-FLIBITNWSA-N
MW334.19 g/mol
LogP3.86
Rot. Bonds2

About (4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one

(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 5407066) has the molecular formula C14H8BrNO2S and a molecular weight of 334.19 g/mol. Its IUPAC name is (4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID5407066
Molecular FormulaC14H8BrNO2S
Molecular Weight334.19 g/mol
Exact Mass332.95
IUPAC Name(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C\c1ccc(Br)s1
InChIInChI=1S/C14H8BrNO2S/c15-12-7-6-10(19-12)8-11-14(17)18-13(16-11)9-4-2-1-3-5-9/h1-8H/b11-8-
InChIKeyBBWQIVHLOMQZCT-FLIBITNWSA-N
XLogP3.86
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.86
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)-4-[(5-bromothiophen-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 19664025
(4E)-4-[(5-ethylthiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6257969
4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2732460
(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5-one
CID 19662299
4-[(4-bromo-5-ethylthiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4074897
4-[(5-bromothiophen-2-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 3684948
(4Z)-2-(3-bromophenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 2687387
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 19666802
(4E)-2-(4-bromophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 93030798
(4E)-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 94849006
(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369649

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 5407066) is (4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C\c1ccc(Br)s1.
What is the InChIKey of (4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is BBWQIVHLOMQZCT-FLIBITNWSA-N. The full InChI is InChI=1S/C14H8BrNO2S/c15-12-7-6-10(19-12)8-11-14(17)18-13(16-11)9-4-2-1-3-5-9/h1-8H/b11-8-.
What are the key properties of (4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 334.19 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 5407066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).