(4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one

C16H9Br2NO2 — CID 1103706

IUPAC(4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccccc1Br
InChIInChI=1S/C16H9Br2NO2/c17-12-7-5-10(6-8-12)15-19-14(16(20)21-15)9-11-3-1-2-4-13(11)18/h1-9H/b14-9-
InChIKeyBKBGOSYIWTVACM-ZROIWOOFSA-N
MW407.06 g/mol
LogP4.56
Rot. Bonds2

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

(4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 1103706) has the molecular formula C16H9Br2NO2 and a molecular weight of 407.06 g/mol. Its IUPAC name is (4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one
PubChem CID1103706
Molecular FormulaC16H9Br2NO2
Molecular Weight407.06 g/mol
Exact Mass404.90
IUPAC Name(4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccccc1Br
InChIInChI=1S/C16H9Br2NO2/c17-12-7-5-10(6-8-12)15-19-14(16(20)21-15)9-11-3-1-2-4-13(11)18/h1-9H/b14-9-
InChIKeyBKBGOSYIWTVACM-ZROIWOOFSA-N
XLogP4.56
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.06
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 4114586
(4Z)-2-(4-bromophenyl)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19662915
(4Z)-4-[(2-bromophenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one
CID 45105449
(4Z)-2-(4-bromophenyl)-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 2180588
[2-[(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] benzenesulfonate
CID 2271930
(4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 19662789
2-(4-bromophenyl)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one
CID 1110841
(4E)-4-[(2-bromophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 6927604
4-[(4-bromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 833873
(4E)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5344385
4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one
CID 5146660
(4E)-4-[(2-bromophenyl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5-one
CID 18532770

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one (CID 1103706) is (4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccccc1Br.
What is the InChIKey of (4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is BKBGOSYIWTVACM-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H9Br2NO2/c17-12-7-5-10(6-8-12)15-19-14(16(20)21-15)9-11-3-1-2-4-13(11)18/h1-9H/b14-9-.
What are the key properties of (4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 407.06 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 1103706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).