3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione

C17H12FNO4 — CID 68555967

IUPAC3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione
SMILESO=C(Cc1ccc(Cc2ccc(F)cc2)o1)C(=O)c1ccon1
InChIInChI=1S/C17H12FNO4/c18-12-3-1-11(2-4-12)9-13-5-6-14(23-13)10-16(20)17(21)15-7-8-22-19-15/h1-8H,9-10H2
InChIKeyFMPZSMYKSYQLNZ-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.99
Rot. Bonds6

About 3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione

3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione (PubChem CID 68555967) has the molecular formula C17H12FNO4 and a molecular weight of 313.28 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione
PubChem CID68555967
Molecular FormulaC17H12FNO4
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione
SMILESO=C(Cc1ccc(Cc2ccc(F)cc2)o1)C(=O)c1ccon1
InChIInChI=1S/C17H12FNO4/c18-12-3-1-11(2-4-12)9-13-5-6-14(23-13)10-16(20)17(21)15-7-8-22-19-15/h1-8H,9-10H2
InChIKeyFMPZSMYKSYQLNZ-UHFFFAOYSA-N
XLogP2.99
TPSA73.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[1-(benzenesulfonyl)pyrrol-2-yl]-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propane-1,2-dione
CID 69137739
4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2,4-dioxobutanoic acid
CID 91404110
3-[5-[(2,5-difluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione
CID 69138478
1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one
CID 141277071
CID 90986043
CID 90986043
3-[4-[(4-fluorophenyl)methyl]furan-2-yl]-1-(2H-tetrazol-5-yl)propane-1,2-dione
CID 69142081
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-3,4-dihydro-2H-pyrrole-5-carbaldehyde
CID 174458535
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-pyrazin-2-ylprop-2-en-1-one
CID 6478848
3-[[4-[(5-methylfuran-2-yl)methyl]phenyl]methyl]-1,2-oxazole
CID 141170983
3-[4-[(4-fluorophenyl)methyl]furan-3-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione
CID 69140222
4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2,4-dioxo-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 91188078
6-[(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxy-3-oxoprop-1-enyl]pyridine-3-carboxylic acid
CID 6478850

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione?
The IUPAC name of 3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione (CID 68555967) is 3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione?
The canonical SMILES for 3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione is O=C(Cc1ccc(Cc2ccc(F)cc2)o1)C(=O)c1ccon1.
What is the InChIKey of 3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione?
The InChIKey is FMPZSMYKSYQLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4/c18-12-3-1-11(2-4-12)9-13-5-6-14(23-13)10-16(20)17(21)15-7-8-22-19-15/h1-8H,9-10H2.
What are the key properties of 3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione?
3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione has a molecular weight of 313.28 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione is sourced from PubChem (CID 68555967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).