3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one

C24H17FN2O2 — CID 139227291

IUPAC3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(-c2ccccc2)c1C1=NOC(c2ccc(F)cc2)C1
InChIInChI=1S/C24H17FN2O2/c25-17-12-10-15(11-13-17)21-14-20(27-29-21)23-22(16-6-2-1-3-7-16)18-8-4-5-9-19(18)26-24(23)28/h1-13,21H,14H2,(H,26,28)
InChIKeyGNZDSVIEJBSPSG-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.20
Rot. Bonds3

About 3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one

3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 139227291) has the molecular formula C24H17FN2O2 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID139227291
Molecular FormulaC24H17FN2O2
Molecular Weight384.41 g/mol
Exact Mass384.13
IUPAC Name3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(-c2ccccc2)c1C1=NOC(c2ccc(F)cc2)C1
InChIInChI=1S/C24H17FN2O2/c25-17-12-10-15(11-13-17)21-14-20(27-29-21)23-22(16-6-2-1-3-7-16)18-8-4-5-9-19(18)26-24(23)28/h1-13,21H,14H2,(H,26,28)
InChIKeyGNZDSVIEJBSPSG-UHFFFAOYSA-N
XLogP5.20
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one (CID 139227291) is 3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(-c2ccccc2)c1C1=NOC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is GNZDSVIEJBSPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O2/c25-17-12-10-15(11-13-17)21-14-20(27-29-21)23-22(16-6-2-1-3-7-16)18-8-4-5-9-19(18)26-24(23)28/h1-13,21H,14H2,(H,26,28).
What are the key properties of 3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 384.41 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 139227291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).