2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C14H10ClFN2O2S — CID 7699859

IUPAC2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESC[C@H](Oc1ccc(F)c(Cl)c1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C14H10ClFN2O2S/c1-8(19-9-4-5-11(16)10(15)7-9)13-17-18-14(20-13)12-3-2-6-21-12/h2-8H,1H3/t8-/m0/s1
InChIKeyLEJUXPPMRLZXPY-QMMMGPOBSA-N
MW324.76 g/mol
LogP4.73
Rot. Bonds4

About 2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 7699859) has the molecular formula C14H10ClFN2O2S and a molecular weight of 324.76 g/mol. Its IUPAC name is 2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID7699859
Molecular FormulaC14H10ClFN2O2S
Molecular Weight324.76 g/mol
Exact Mass324.01
IUPAC Name2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESC[C@H](Oc1ccc(F)c(Cl)c1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C14H10ClFN2O2S/c1-8(19-9-4-5-11(16)10(15)7-9)13-17-18-14(20-13)12-3-2-6-21-12/h2-8H,1H3/t8-/m0/s1
InChIKeyLEJUXPPMRLZXPY-QMMMGPOBSA-N
XLogP4.73
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole
CID 7701319
2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 7706077
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2,4-dichlorobenzoate
CID 7716323
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-difluorobenzoate
CID 7699524
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7697811
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 3-amino-4-chlorobenzoate
CID 18198799
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 5-chloro-2-nitrobenzoate
CID 18198894
(1R)-1-(4-chlorophenyl)-N-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 9043981
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7703140
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 55391927
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 55506139
(1S)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9042506

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 7699859) is 2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is C[C@H](Oc1ccc(F)c(Cl)c1)c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is LEJUXPPMRLZXPY-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H10ClFN2O2S/c1-8(19-9-4-5-11(16)10(15)7-9)13-17-18-14(20-13)12-3-2-6-21-12/h2-8H,1H3/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 324.76 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 7699859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).