(4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one

C12H10FNO3 — CID 6531488

IUPAC(4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one
SMILESCCO/C=C1\N=C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C12H10FNO3/c1-2-16-7-10-12(15)17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3/b10-7-
InChIKeyQPFMVKFJCPVERI-YFHOEESVSA-N
MW235.21 g/mol
LogP2.01
Rot. Bonds3

About (4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one

(4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one (PubChem CID 6531488) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is (4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one
PubChem CID6531488
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name(4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one
SMILESCCO/C=C1\N=C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C12H10FNO3/c1-2-16-7-10-12(15)17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3/b10-7-
InChIKeyQPFMVKFJCPVERI-YFHOEESVSA-N
XLogP2.01
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one (CID 6531488) is (4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one is CCO/C=C1\N=C(c2ccc(F)cc2)OC1=O.
What is the InChIKey of (4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The InChIKey is QPFMVKFJCPVERI-YFHOEESVSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-2-16-7-10-12(15)17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3/b10-7-.
What are the key properties of (4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one?
(4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one has a molecular weight of 235.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(ethoxymethylidene)-2-(4-fluorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 6531488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).