2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one

C15H8BrFN2O2 — CID 3256853

IUPAC2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cncc(Br)c2)=NC1=Cc1ccccc1F
InChIInChI=1S/C15H8BrFN2O2/c16-11-5-10(7-18-8-11)14-19-13(15(20)21-14)6-9-3-1-2-4-12(9)17/h1-8H
InChIKeyYOEKZACLMPREJV-UHFFFAOYSA-N
MW347.14 g/mol
LogP3.33
Rot. Bonds2

About 2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one

2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 3256853) has the molecular formula C15H8BrFN2O2 and a molecular weight of 347.14 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
PubChem CID3256853
Molecular FormulaC15H8BrFN2O2
Molecular Weight347.14 g/mol
Exact Mass345.98
IUPAC Name2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cncc(Br)c2)=NC1=Cc1ccccc1F
InChIInChI=1S/C15H8BrFN2O2/c16-11-5-10(7-18-8-11)14-19-13(15(20)21-14)6-9-3-1-2-4-12(9)17/h1-8H
InChIKeyYOEKZACLMPREJV-UHFFFAOYSA-N
XLogP3.33
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.14
LogP ≤ 53.33
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

2-(5-bromo-3-pyridinyl)-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one
CID 4083180
(4Z)-2-(3-bromo-4-iodophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 19670966
2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 4590383
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(5-bromo-3-pyridinyl)-1,3-oxazol-5-one
CID 46368593
(4Z)-2-(3-bromo-4-methoxyphenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 6031240
(4E)-2-(5-bromo-3-pyridinyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6040423
(4E)-2-(3-bromophenyl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 2302615
(4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one
CID 1103706
(4Z)-4-[(5-bromo-2-fluorophenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 6067183
2-(4-butoxyphenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 3102660
2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 4114586
(4E)-2-[4-(4-ethylcyclohexyl)phenyl]-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 7030550

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one (CID 3256853) is 2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2cncc(Br)c2)=NC1=Cc1ccccc1F.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is YOEKZACLMPREJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFN2O2/c16-11-5-10(7-18-8-11)14-19-13(15(20)21-14)6-9-3-1-2-4-12(9)17/h1-8H.
What are the key properties of 2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 347.14 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 3256853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).