(4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one

C24H14FNO2 — CID 7028544

IUPAC(4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2F)=N/C1=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H14FNO2/c25-21-12-6-5-11-19(21)23-26-22(24(27)28-23)14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H/b22-14+
InChIKeyYBCNZRWYXGWKNY-HYARGMPZSA-N
MW367.38 g/mol
LogP5.48
Rot. Bonds2

About (4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one

(4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one (PubChem CID 7028544) has the molecular formula C24H14FNO2 and a molecular weight of 367.38 g/mol. Its IUPAC name is (4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one
PubChem CID7028544
Molecular FormulaC24H14FNO2
Molecular Weight367.38 g/mol
Exact Mass367.10
IUPAC Name(4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2F)=N/C1=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H14FNO2/c25-21-12-6-5-11-19(21)23-26-22(24(27)28-23)14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H/b22-14+
InChIKeyYBCNZRWYXGWKNY-HYARGMPZSA-N
XLogP5.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one (CID 7028544) is (4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one is O=C1OC(c2ccccc2F)=N/C1=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of (4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one?
The InChIKey is YBCNZRWYXGWKNY-HYARGMPZSA-N. The full InChI is InChI=1S/C24H14FNO2/c25-21-12-6-5-11-19(21)23-26-22(24(27)28-23)14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H/b22-14+.
What are the key properties of (4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one?
(4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one has a molecular weight of 367.38 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(anthracen-9-ylmethylidene)-2-(2-fluorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 7028544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).