(4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one

C18H12FNO2 — CID 145359709

IUPAC(4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C1/CCc2cc(F)ccc21
InChIInChI=1S/C18H12FNO2/c19-13-7-9-14-12(10-13)6-8-15(14)16-18(21)22-17(20-16)11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2/b16-15-
InChIKeySXCBVYUSSUZAGX-NXVVXOECSA-N
MW293.30 g/mol
LogP3.49
Rot. Bonds1

About (4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one

(4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one (PubChem CID 145359709) has the molecular formula C18H12FNO2 and a molecular weight of 293.30 g/mol. Its IUPAC name is (4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one
PubChem CID145359709
Molecular FormulaC18H12FNO2
Molecular Weight293.30 g/mol
Exact Mass293.09
IUPAC Name(4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C1/CCc2cc(F)ccc21
InChIInChI=1S/C18H12FNO2/c19-13-7-9-14-12(10-13)6-8-15(14)16-18(21)22-17(20-16)11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2/b16-15-
InChIKeySXCBVYUSSUZAGX-NXVVXOECSA-N
XLogP3.49
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 58657938
4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 162070057
6-(4-fluorophenyl)-5-phenyl-7,8-dihydronaphthalen-2-ol
CID 173266078
(4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6009501
(4Z)-2-(4-tert-butylphenyl)-4-(3-oxo-2-benzofuran-1-ylidene)-1,3-oxazol-5-one
CID 171979705
5-fluoro-2-benzofuran-1,3-dione
CID 159746884
(2Z)-2-benzylidene-13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 59770481
4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 21179103
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid
CID 23293571
(4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
CID 19578690
(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369649
(4Z)-4-butan-2-ylidene-2-phenyl-1,3-oxazol-5-one
CID 13148826

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one (CID 145359709) is (4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C1/CCc2cc(F)ccc21.
What is the InChIKey of (4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one?
The InChIKey is SXCBVYUSSUZAGX-NXVVXOECSA-N. The full InChI is InChI=1S/C18H12FNO2/c19-13-7-9-14-12(10-13)6-8-15(14)16-18(21)22-17(20-16)11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2/b16-15-.
What are the key properties of (4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one has a molecular weight of 293.30 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(5-fluoro-2,3-dihydroinden-1-ylidene)-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 145359709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).