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

C16H12FNO2 — CID 69034844

IUPAC(2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone
SMILESO=C(c1ccccc1F)C1COC(c2ccccc2)=N1
InChIInChI=1S/C16H12FNO2/c17-13-9-5-4-8-12(13)15(19)14-10-20-16(18-14)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyZRELKSOPJVYMQB-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.85
Rot. Bonds3

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

(2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone (PubChem CID 69034844) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone
PubChem CID69034844
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name(2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone
SMILESO=C(c1ccccc1F)C1COC(c2ccccc2)=N1
InChIInChI=1S/C16H12FNO2/c17-13-9-5-4-8-12(13)15(19)14-10-20-16(18-14)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyZRELKSOPJVYMQB-UHFFFAOYSA-N
XLogP2.85
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone (CID 69034844) is (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone is O=C(c1ccccc1F)C1COC(c2ccccc2)=N1.
What is the InChIKey of (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone?
The InChIKey is ZRELKSOPJVYMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-13-9-5-4-8-12(13)15(19)14-10-20-16(18-14)11-6-2-1-3-7-11/h1-9,14H,10H2.
What are the key properties of (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone?
(2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone has a molecular weight of 269.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 69034844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).