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

C24H18FNO4 — CID 2934765

IUPAC4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESCOc1cc(C=C2C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1F
InChIInChI=1S/C24H18FNO4/c1-28-22-14-16(11-12-21(22)29-15-18-9-5-6-10-20(18)25)13-19-23(26-30-24(19)27)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyOXSWUNIYODMUER-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.76
Rot. Bonds6

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

4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one (PubChem CID 2934765) has the molecular formula C24H18FNO4 and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
PubChem CID2934765
Molecular FormulaC24H18FNO4
Molecular Weight403.41 g/mol
Exact Mass403.12
IUPAC Name4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESCOc1cc(C=C2C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1F
InChIInChI=1S/C24H18FNO4/c1-28-22-14-16(11-12-21(22)29-15-18-9-5-6-10-20(18)25)13-19-23(26-30-24(19)27)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyOXSWUNIYODMUER-UHFFFAOYSA-N
XLogP4.76
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(4Z)-4-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126083942
(4Z)-4-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126095625
(4E)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126088073
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 685684
(4Z)-4-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126093737
5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1251615
2-(2-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 2875008
(4Z)-4-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126092141
5-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 50872543
(4Z)-4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19667911
(4Z)-2-(4-ethoxyphenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 126015810
(4Z)-4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126085063

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of 4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one (CID 2934765) is 4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for 4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for 4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one is COc1cc(C=C2C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1F.
What is the InChIKey of 4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is OXSWUNIYODMUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO4/c1-28-22-14-16(11-12-21(22)29-15-18-9-5-6-10-20(18)25)13-19-23(26-30-24(19)27)17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one has a molecular weight of 403.41 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 2934765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).