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

C23H15F2NO3 — CID 19668873

IUPAC(4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OCc1cccc(F)c1
InChIInChI=1S/C23H15F2NO3/c24-17-8-5-6-15(12-17)14-28-21-11-4-1-7-16(21)13-20-23(27)29-22(26-20)18-9-2-3-10-19(18)25/h1-13H,14H2/b20-13-
InChIKeyNCIKDHKEWRHKJN-MOSHPQCFSA-N
MW391.37 g/mol
LogP4.89
Rot. Bonds5

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

(4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 19668873) has the molecular formula C23H15F2NO3 and a molecular weight of 391.37 g/mol. Its IUPAC name is (4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID19668873
Molecular FormulaC23H15F2NO3
Molecular Weight391.37 g/mol
Exact Mass391.10
IUPAC Name(4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OCc1cccc(F)c1
InChIInChI=1S/C23H15F2NO3/c24-17-8-5-6-15(12-17)14-28-21-11-4-1-7-16(21)13-20-23(27)29-22(26-20)18-9-2-3-10-19(18)25/h1-13H,14H2/b20-13-
InChIKeyNCIKDHKEWRHKJN-MOSHPQCFSA-N
XLogP4.89
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199081
2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 2875509
(4Z)-4-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 19668878
2-(2-fluorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3420366
(4Z)-4-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 19666868
2-(2-fluorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 2844190
(4Z)-2-(2-methylphenyl)-4-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19667872
(4Z)-4-[[2-[(3-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 19666953
(4Z)-4-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19667989
(4Z)-4-[[2-[(3-bromophenyl)methoxy]phenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663362
(4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 126010344
(4Z)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 19666894

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one (CID 19668873) is (4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OCc1cccc(F)c1.
What is the InChIKey of (4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is NCIKDHKEWRHKJN-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H15F2NO3/c24-17-8-5-6-15(12-17)14-28-21-11-4-1-7-16(21)13-20-23(27)29-22(26-20)18-9-2-3-10-19(18)25/h1-13H,14H2/b20-13-.
What are the key properties of (4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 391.37 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 19668873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).