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

C15H9BrN2O2 — CID 5146660

IUPAC4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccncc2)=NC1=Cc1ccc(Br)cc1
InChIInChI=1S/C15H9BrN2O2/c16-12-3-1-10(2-4-12)9-13-15(19)20-14(18-13)11-5-7-17-8-6-11/h1-9H
InChIKeyBQBZJKKDURVOTD-UHFFFAOYSA-N
MW329.15 g/mol
LogP3.19
Rot. Bonds2

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

4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one (PubChem CID 5146660) has the molecular formula C15H9BrN2O2 and a molecular weight of 329.15 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one
PubChem CID5146660
Molecular FormulaC15H9BrN2O2
Molecular Weight329.15 g/mol
Exact Mass327.98
IUPAC Name4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccncc2)=NC1=Cc1ccc(Br)cc1
InChIInChI=1S/C15H9BrN2O2/c16-12-3-1-10(2-4-12)9-13-15(19)20-14(18-13)11-5-7-17-8-6-11/h1-9H
InChIKeyBQBZJKKDURVOTD-UHFFFAOYSA-N
XLogP3.19
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 53.19
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

4-[(4-bromophenyl)methylidene]-2-(4-tert-butylphenyl)-1,3-oxazol-5-one
CID 3102617
2-(4-bromophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 2890621
(4E)-2-(4-bromophenyl)-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one
CID 18532776
4-[(4-bromophenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 740147
(4Z)-2-(3-bromo-4-iodophenyl)-4-[(4-bromophenyl)methylidene]-1,3-oxazol-5-one
CID 19670964
2-(4-bromophenyl)-4-[(4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3451886
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one
CID 18527679
(4E)-4-[(4-bromophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 20831515
(4Z)-4-[(4-bromophenyl)methylidene]-2-(4-hexylphenyl)-1,3-oxazol-5-one
CID 6297754
(4Z)-2-(4-bromophenyl)-4-[(4-butan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19663091
(4Z)-2-(4-bromophenyl)-4-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 2398103

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one?
The IUPAC name of 4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one (CID 5146660) is 4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one?
The canonical SMILES for 4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one is O=C1OC(c2ccncc2)=NC1=Cc1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one?
The InChIKey is BQBZJKKDURVOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O2/c16-12-3-1-10(2-4-12)9-13-15(19)20-14(18-13)11-5-7-17-8-6-11/h1-9H.
What are the key properties of 4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one?
4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one has a molecular weight of 329.15 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one is sourced from PubChem (CID 5146660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).