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

C20H13FN2O3S — CID 46534608

IUPAC(4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C20H13FN2O3S/c21-17-4-2-1-3-16(17)19-23-18(20(24)26-19)9-13-5-7-15(8-6-13)25-10-14-11-27-12-22-14/h1-9,11-12H,10H2/b18-9-
InChIKeyBDKVDXWEZCUIIO-NVMNQCDNSA-N
MW380.40 g/mol
LogP4.21
Rot. Bonds5

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

(4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 46534608) has the molecular formula C20H13FN2O3S and a molecular weight of 380.40 g/mol. Its IUPAC name is (4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID46534608
Molecular FormulaC20H13FN2O3S
Molecular Weight380.40 g/mol
Exact Mass380.06
IUPAC Name(4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C20H13FN2O3S/c21-17-4-2-1-3-16(17)19-23-18(20(24)26-19)9-13-5-7-15(8-6-13)25-10-14-11-27-12-22-14/h1-9,11-12H,10H2/b18-9-
InChIKeyBDKVDXWEZCUIIO-NVMNQCDNSA-N
XLogP4.21
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one (CID 46534608) is (4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2cscn2)cc1.
What is the InChIKey of (4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is BDKVDXWEZCUIIO-NVMNQCDNSA-N. The full InChI is InChI=1S/C20H13FN2O3S/c21-17-4-2-1-3-16(17)19-23-18(20(24)26-19)9-13-5-7-15(8-6-13)25-10-14-11-27-12-22-14/h1-9,11-12H,10H2/b18-9-.
What are the key properties of (4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 380.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 46534608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).