4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one

C16H10FNO3 — CID 102064435

IUPAC4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)C1C(=O)c1ccccc1F
InChIInChI=1S/C16H10FNO3/c17-12-9-5-4-8-11(12)15(19)13-14(18-21-16(13)20)10-6-2-1-3-7-10/h1-9,13H
InChIKeyVHRCZUMIDWIWQN-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.59
Rot. Bonds3

About 4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one

4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one (PubChem CID 102064435) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is 4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one
PubChem CID102064435
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)C1C(=O)c1ccccc1F
InChIInChI=1S/C16H10FNO3/c17-12-9-5-4-8-11(12)15(19)13-14(18-21-16(13)20)10-6-2-1-3-7-10/h1-9,13H
InChIKeyVHRCZUMIDWIWQN-UHFFFAOYSA-N
XLogP2.59
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one?
The IUPAC name of 4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one (CID 102064435) is 4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one.
What is the SMILES notation for 4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one?
The canonical SMILES for 4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)C1C(=O)c1ccccc1F.
What is the InChIKey of 4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one?
The InChIKey is VHRCZUMIDWIWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3/c17-12-9-5-4-8-11(12)15(19)13-14(18-21-16(13)20)10-6-2-1-3-7-10/h1-9,13H.
What are the key properties of 4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one?
4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one has a molecular weight of 283.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobenzoyl)-3-phenyl-4H-1,2-oxazol-5-one is sourced from PubChem (CID 102064435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).