(8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine

C25H24FN3OS — CID 70227479

IUPAC(8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
SMILESCCC1(c2ccc(F)cc2)ON=C2/C(=C/c3ccc(-c4nc(C)cs4)cc3)CCCN21
InChIInChI=1S/C25H24FN3OS/c1-3-25(21-10-12-22(26)13-11-21)29-14-4-5-20(23(29)28-30-25)15-18-6-8-19(9-7-18)24-27-17(2)16-31-24/h6-13,15-16H,3-5,14H2,1-2H3/b20-15+
InChIKeyRXSVUHUFRKUXIY-HMMYKYKNSA-N
MW433.55 g/mol
LogP6.34
Rot. Bonds4

About (8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine

(8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine (PubChem CID 70227479) has the molecular formula C25H24FN3OS and a molecular weight of 433.55 g/mol. Its IUPAC name is (8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine.

Molecular Properties

Compound Name(8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
PubChem CID70227479
Molecular FormulaC25H24FN3OS
Molecular Weight433.55 g/mol
Exact Mass433.16
IUPAC Name(8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
SMILESCCC1(c2ccc(F)cc2)ON=C2/C(=C/c3ccc(-c4nc(C)cs4)cc3)CCCN21
InChIInChI=1S/C25H24FN3OS/c1-3-25(21-10-12-22(26)13-11-21)29-14-4-5-20(23(29)28-30-25)15-18-6-8-19(9-7-18)24-27-17(2)16-31-24/h6-13,15-16H,3-5,14H2,1-2H3/b20-15+
InChIKeyRXSVUHUFRKUXIY-HMMYKYKNSA-N
XLogP6.34
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine?
The IUPAC name of (8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine (CID 70227479) is (8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine.
What is the SMILES notation for (8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine?
The canonical SMILES for (8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine is CCC1(c2ccc(F)cc2)ON=C2/C(=C/c3ccc(-c4nc(C)cs4)cc3)CCCN21.
What is the InChIKey of (8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine?
The InChIKey is RXSVUHUFRKUXIY-HMMYKYKNSA-N. The full InChI is InChI=1S/C25H24FN3OS/c1-3-25(21-10-12-22(26)13-11-21)29-14-4-5-20(23(29)28-30-25)15-18-6-8-19(9-7-18)24-27-17(2)16-31-24/h6-13,15-16H,3-5,14H2,1-2H3/b20-15+.
What are the key properties of (8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine?
(8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine has a molecular weight of 433.55 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-ethyl-3-(4-fluorophenyl)-8-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine is sourced from PubChem (CID 70227479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).