[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C20H14FN3O3S — CID 8824658

IUPAC[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESC[C@@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H14FN3O3S/c1-12(17-23-24-18(27-17)13-5-3-2-4-6-13)26-20(25)16-11-28-19(22-16)14-7-9-15(21)10-8-14/h2-12H,1H3/t12-/m1/s1
InChIKeyUBOBQIJCUBAMQO-GFCCVEGCSA-N
MW395.42 g/mol
LogP4.92
Rot. Bonds5

About [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 8824658) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID8824658
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESC[C@@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H14FN3O3S/c1-12(17-23-24-18(27-17)13-5-3-2-4-6-13)26-20(25)16-11-28-19(22-16)14-7-9-15(21)10-8-14/h2-12H,1H3/t12-/m1/s1
InChIKeyUBOBQIJCUBAMQO-GFCCVEGCSA-N
XLogP4.92
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] pyridine-2-carboxylate
CID 8860436
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-chlorobenzoate
CID 9412590
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824550
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-methylthiophene-2-carboxylate
CID 9415018
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 18207076
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chloro-4-fluorobenzoate
CID 8937352
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 8602918
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-chloropyridine-3-carboxylate
CID 9415797
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-propan-2-ylbenzoate
CID 9417146
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] (E)-3-phenylprop-2-enoate
CID 9415384
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-dimethoxybenzoate
CID 7604439
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 43016426

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 8824658) is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is C[C@@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is UBOBQIJCUBAMQO-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c1-12(17-23-24-18(27-17)13-5-3-2-4-6-13)26-20(25)16-11-28-19(22-16)14-7-9-15(21)10-8-14/h2-12H,1H3/t12-/m1/s1.
What are the key properties of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 395.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8824658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).