(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one

C23H16FNO3 — CID 126088073

IUPAC(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C\c1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C23H16FNO3/c24-21-12-5-4-10-18(21)15-27-19-11-6-7-16(13-19)14-20-22(25-28-23(20)26)17-8-2-1-3-9-17/h1-14H,15H2/b20-14+
InChIKeyKTXKPCNDLZWNBL-XSFVSMFZSA-N
MW373.38 g/mol
LogP4.75
Rot. Bonds5

About (4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one

(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one (PubChem CID 126088073) has the molecular formula C23H16FNO3 and a molecular weight of 373.38 g/mol. Its IUPAC name is (4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
PubChem CID126088073
Molecular FormulaC23H16FNO3
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC Name(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C\c1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C23H16FNO3/c24-21-12-5-4-10-18(21)15-27-19-11-6-7-16(13-19)14-20-22(25-28-23(20)26)17-8-2-1-3-9-17/h1-14H,15H2/b20-14+
InChIKeyKTXKPCNDLZWNBL-XSFVSMFZSA-N
XLogP4.75
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

4-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 4035773
4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2934765
(4E)-3-phenyl-4-[(3-propoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 126095349
(4Z)-4-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126083942
(4Z)-4-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126093737
4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 1352944
4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 4268049
(5Z)-2-amino-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 1252746
4-[(4-fluoro-3-phenoxyphenyl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one
CID 576693
(4Z)-4-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 679281
4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 3625719
(4Z)-4-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126095625

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of (4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one (CID 126088073) is (4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for (4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for (4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)/C1=C\c1cccc(OCc2ccccc2F)c1.
What is the InChIKey of (4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is KTXKPCNDLZWNBL-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H16FNO3/c24-21-12-5-4-10-18(21)15-27-19-11-6-7-16(13-19)14-20-22(25-28-23(20)26)17-8-2-1-3-9-17/h1-14H,15H2/b20-14+.
What are the key properties of (4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one has a molecular weight of 373.38 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 126088073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).