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

C19H14FNO3 — CID 2199081

IUPAC(4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESC=CCOc1ccccc1/C=C1/N=C(c2ccccc2F)OC1=O
InChIInChI=1S/C19H14FNO3/c1-2-11-23-17-10-6-3-7-13(17)12-16-19(22)24-18(21-16)14-8-4-5-9-15(14)20/h2-10,12H,1,11H2/b16-12+
InChIKeyVUZFNUOQRKBSDH-FOWTUZBSSA-N
MW323.32 g/mol
LogP3.73
Rot. Bonds5

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

(4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 2199081) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is (4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID2199081
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name(4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESC=CCOc1ccccc1/C=C1/N=C(c2ccccc2F)OC1=O
InChIInChI=1S/C19H14FNO3/c1-2-11-23-17-10-6-3-7-13(17)12-16-19(22)24-18(21-16)14-8-4-5-9-15(14)20/h2-10,12H,1,11H2/b16-12+
InChIKeyVUZFNUOQRKBSDH-FOWTUZBSSA-N
XLogP3.73
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4232998
2-(2-fluorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3420366
(4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19668873
2-(2-fluorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 2844190
(4Z)-2-(2-fluorophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 687443
N-[4-[(4Z)-5-oxo-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-2-yl]phenyl]acetamide
CID 19666234
2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2875062
(4Z)-4-[[2-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 19669155
(4Z)-2-(2-bromophenyl)-4-[(2-butoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19669487
2-(2-chloro-4,5-difluorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4566422
(4Z)-2-(2-bromophenyl)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19669382
2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 4590383

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 2199081) is (4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one is C=CCOc1ccccc1/C=C1/N=C(c2ccccc2F)OC1=O.
What is the InChIKey of (4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is VUZFNUOQRKBSDH-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-2-11-23-17-10-6-3-7-13(17)12-16-19(22)24-18(21-16)14-8-4-5-9-15(14)20/h2-10,12H,1,11H2/b16-12+.
What are the key properties of (4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 323.32 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 2199081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).