[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

C19H13FN2O4S — CID 8647530

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C19H13FN2O4S/c1-11-17(27-18(21-11)12-4-6-13(20)7-5-12)19(23)25-10-14-9-16(26-22-14)15-3-2-8-24-15/h2-9H,10H2,1H3
InChIKeyPYADUOZALCHEDV-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.86
Rot. Bonds5

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 8647530) has the molecular formula C19H13FN2O4S and a molecular weight of 384.39 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID8647530
Molecular FormulaC19H13FN2O4S
Molecular Weight384.39 g/mol
Exact Mass384.06
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C19H13FN2O4S/c1-11-17(27-18(21-11)12-4-6-13(20)7-5-12)19(23)25-10-14-9-16(26-22-14)15-3-2-8-24-15/h2-9H,10H2,1H3
InChIKeyPYADUOZALCHEDV-UHFFFAOYSA-N
XLogP4.86
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate 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 [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 8647530) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1cc(-c2ccco2)on1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PYADUOZALCHEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O4S/c1-11-17(27-18(21-11)12-4-6-13(20)7-5-12)19(23)25-10-14-9-16(26-22-14)15-3-2-8-24-15/h2-9H,10H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 384.39 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 8647530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).