(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate

C20H15FN2O3S2 — CID 18272462

IUPAC(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)OCc1csc(-c2ccsc2)n1
InChIInChI=1S/C20H15FN2O3S2/c21-15-3-1-13(2-4-15)17-9-22-18(26-17)5-6-19(24)25-10-16-12-28-20(23-16)14-7-8-27-11-14/h1-4,7-9,11-12H,5-6,10H2
InChIKeyDHRGDHABOLOIHC-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.34
Rot. Bonds7

About (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate

(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 18272462) has the molecular formula C20H15FN2O3S2 and a molecular weight of 414.48 g/mol. Its IUPAC name is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID18272462
Molecular FormulaC20H15FN2O3S2
Molecular Weight414.48 g/mol
Exact Mass414.05
IUPAC Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)OCc1csc(-c2ccsc2)n1
InChIInChI=1S/C20H15FN2O3S2/c21-15-3-1-13(2-4-15)17-9-22-18(26-17)5-6-19(24)25-10-16-12-28-20(23-16)14-7-8-27-11-14/h1-4,7-9,11-12H,5-6,10H2
InChIKeyDHRGDHABOLOIHC-UHFFFAOYSA-N
XLogP5.34
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate 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 (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 18272462) is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is O=C(CCc1ncc(-c2ccc(F)cc2)o1)OCc1csc(-c2ccsc2)n1.
What is the InChIKey of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is DHRGDHABOLOIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S2/c21-15-3-1-13(2-4-15)17-9-22-18(26-17)5-6-19(24)25-10-16-12-28-20(23-16)14-7-8-27-11-14/h1-4,7-9,11-12H,5-6,10H2.
What are the key properties of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 414.48 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 18272462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).