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

C11H8FNO2 — CID 6139821

IUPAC(4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
SMILESCC1=NOC(=O)/C1=C\c1ccc(F)cc1
InChIInChI=1S/C11H8FNO2/c1-7-10(11(14)15-13-7)6-8-2-4-9(12)5-3-8/h2-6H,1H3/b10-6-
InChIKeyOQGRZECMACEQHH-POHAHGRESA-N
MW205.19 g/mol
LogP2.14
Rot. Bonds1

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

(4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one (PubChem CID 6139821) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
PubChem CID6139821
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name(4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
SMILESCC1=NOC(=O)/C1=C\c1ccc(F)cc1
InChIInChI=1S/C11H8FNO2/c1-7-10(11(14)15-13-7)6-8-2-4-9(12)5-3-8/h2-6H,1H3/b10-6-
InChIKeyOQGRZECMACEQHH-POHAHGRESA-N
XLogP2.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(4E)-3-methyl-4-[(4-methylphenyl)methylidene]-1,2-oxazol-5-one
CID 718659
(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 5285609
(4E)-4-[(4-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 5386572
(4E)-4-[(3-hydroxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 14690428
(4E)-4-[(3-bromophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 6048164
3-methyl-4-(thiophen-2-ylmethylidene)-1,2-oxazol-5-one
CID 705406
4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 701594
4-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 5121650
4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 1047667
(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 5436815
4-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 4068062
(4Z)-4-[(4-hydroxy-3-nitrophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 135705246

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one (CID 6139821) is (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one is CC1=NOC(=O)/C1=C\c1ccc(F)cc1.
What is the InChIKey of (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one?
The InChIKey is OQGRZECMACEQHH-POHAHGRESA-N. The full InChI is InChI=1S/C11H8FNO2/c1-7-10(11(14)15-13-7)6-8-2-4-9(12)5-3-8/h2-6H,1H3/b10-6-.
What are the key properties of (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one?
(4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one has a molecular weight of 205.19 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-fluorophenyl)methylidene]-3-methyl-1,2-oxazol-5-one is sourced from PubChem (CID 6139821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).