[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate

C19H17FN2O4S — CID 8637782

IUPAC[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)s1
InChIInChI=1S/C19H17FN2O4S/c1-11-3-9-16(27-11)15(23)8-10-17(24)25-12(2)18-21-22-19(26-18)13-4-6-14(20)7-5-13/h3-7,9,12H,8,10H2,1-2H3/t12-/m1/s1
InChIKeySYJCIOMHNUJREG-GFCCVEGCSA-N
MW388.42 g/mol
LogP4.51
Rot. Bonds7

About [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate

[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate (PubChem CID 8637782) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate.

Molecular Properties

Compound Name[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
PubChem CID8637782
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Name[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)s1
InChIInChI=1S/C19H17FN2O4S/c1-11-3-9-16(27-11)15(23)8-10-17(24)25-12(2)18-21-22-19(26-18)13-4-6-14(20)7-5-13/h3-7,9,12H,8,10H2,1-2H3/t12-/m1/s1
InChIKeySYJCIOMHNUJREG-GFCCVEGCSA-N
XLogP4.51
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 8640970
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 8863483
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-methylthiophene-2-carboxylate
CID 9415018
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 7524315
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-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616478
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-propan-2-ylbenzoate
CID 9417146
[(1S)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-oxopentanoate
CID 40763670
[(1S)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-fluorophenoxy)acetate
CID 8601374
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8603212
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-chlorobenzoate
CID 9412590
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-pyrazol-1-ylbenzoate
CID 8601585

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate?
The IUPAC name of [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate (CID 8637782) is [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate.
What is the SMILES notation for [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate?
The canonical SMILES for [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate is Cc1ccc(C(=O)CCC(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)s1.
What is the InChIKey of [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate?
The InChIKey is SYJCIOMHNUJREG-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-11-3-9-16(27-11)15(23)8-10-17(24)25-12(2)18-21-22-19(26-18)13-4-6-14(20)7-5-13/h3-7,9,12H,8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate?
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate has a molecular weight of 388.42 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate is sourced from PubChem (CID 8637782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).