5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one

C10H7FNO2- — CID 154411381

IUPAC5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one
SMILESO=C1N=[C-]OC1Cc1cccc(F)c1
InChIInChI=1S/C10H7FNO2/c11-8-3-1-2-7(4-8)5-9-10(13)12-6-14-9/h1-4,9H,5H2/q-1
InChIKeyRRUZNLPJXDLMGX-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.20
Rot. Bonds2

About 5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one

5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one (PubChem CID 154411381) has the molecular formula C10H7FNO2- and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one
PubChem CID154411381
Molecular FormulaC10H7FNO2-
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one
SMILESO=C1N=[C-]OC1Cc1cccc(F)c1
InChIInChI=1S/C10H7FNO2/c11-8-3-1-2-7(4-8)5-9-10(13)12-6-14-9/h1-4,9H,5H2/q-1
InChIKeyRRUZNLPJXDLMGX-UHFFFAOYSA-N
XLogP1.20
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one (CID 154411381) is 5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one is O=C1N=[C-]OC1Cc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one?
The InChIKey is RRUZNLPJXDLMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FNO2/c11-8-3-1-2-7(4-8)5-9-10(13)12-6-14-9/h1-4,9H,5H2/q-1.
What are the key properties of 5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one?
5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one has a molecular weight of 192.17 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-2H-1,3-oxazol-2-id-4-one is sourced from PubChem (CID 154411381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).