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

C16H9BrFNO2 — CID 4590383

IUPAC2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2Br)=NC1=Cc1ccccc1F
InChIInChI=1S/C16H9BrFNO2/c17-12-7-3-2-6-11(12)15-19-14(16(20)21-15)9-10-5-1-4-8-13(10)18/h1-9H
InChIKeyLRJDEKGKWNMJRJ-UHFFFAOYSA-N
MW346.16 g/mol
LogP3.93
Rot. Bonds2

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

2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 4590383) has the molecular formula C16H9BrFNO2 and a molecular weight of 346.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
PubChem CID4590383
Molecular FormulaC16H9BrFNO2
Molecular Weight346.16 g/mol
Exact Mass344.98
IUPAC Name2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2Br)=NC1=Cc1ccccc1F
InChIInChI=1S/C16H9BrFNO2/c17-12-7-3-2-6-11(12)15-19-14(16(20)21-15)9-10-5-1-4-8-13(10)18/h1-9H
InChIKeyLRJDEKGKWNMJRJ-UHFFFAOYSA-N
XLogP3.93
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 53.93
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

(4E)-2-(2-bromophenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 6183828
2-(2-bromophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 603898
(4Z)-2-(2-fluorophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 687443
(4Z)-2-(3-bromo-4-iodophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 19670966
(4E)-2-(2-bromophenyl)-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1004822
2-(2-bromophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 2875277
2-(2-fluorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 2844190
2-(5-bromo-3-pyridinyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 3256853
(4Z)-2-(2-bromophenyl)-4-[(2-butoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19669487
(4Z)-2-(2-bromophenyl)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19669382
2-(2-fluorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3420366
(4Z)-2-(3-bromo-4-methoxyphenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 6031240

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one (CID 4590383) is 2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccccc2Br)=NC1=Cc1ccccc1F.
What is the InChIKey of 2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is LRJDEKGKWNMJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFNO2/c17-12-7-3-2-6-11(12)15-19-14(16(20)21-15)9-10-5-1-4-8-13(10)18/h1-9H.
What are the key properties of 2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one?
2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 346.16 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 4590383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).