(4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C17H12FNO2 — CID 579517

IUPAC(4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H12FNO2/c1-11-15(17(20)13-7-9-14(18)10-8-13)16(19-21-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyLGYBLUITKOMAPE-UHFFFAOYSA-N
MW281.29 g/mol
LogP4.02
Rot. Bonds3

About (4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

(4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 579517) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is (4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID579517
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name(4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H12FNO2/c1-11-15(17(20)13-7-9-14(18)10-8-13)16(19-21-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyLGYBLUITKOMAPE-UHFFFAOYSA-N
XLogP4.02
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 579517) is (4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is LGYBLUITKOMAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-11-15(17(20)13-7-9-14(18)10-8-13)16(19-21-11)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of (4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
(4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 281.29 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 579517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).