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

C14H9Cl3N2O2S — CID 7701319

IUPAC2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole
SMILESC[C@H](Oc1cc(Cl)c(Cl)cc1Cl)c1nnc(-c2cccs2)o1
InChIInChI=1S/C14H9Cl3N2O2S/c1-7(20-11-6-9(16)8(15)5-10(11)17)13-18-19-14(21-13)12-3-2-4-22-12/h2-7H,1H3/t7-/m0/s1
InChIKeyLRKUNATVKBGWQT-ZETCQYMHSA-N
MW375.66 g/mol
LogP5.90
Rot. Bonds4

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

2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole (PubChem CID 7701319) has the molecular formula C14H9Cl3N2O2S and a molecular weight of 375.66 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole
PubChem CID7701319
Molecular FormulaC14H9Cl3N2O2S
Molecular Weight375.66 g/mol
Exact Mass373.95
IUPAC Name2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole
SMILESC[C@H](Oc1cc(Cl)c(Cl)cc1Cl)c1nnc(-c2cccs2)o1
InChIInChI=1S/C14H9Cl3N2O2S/c1-7(20-11-6-9(16)8(15)5-10(11)17)13-18-19-14(21-13)12-3-2-4-22-12/h2-7H,1H3/t7-/m0/s1
InChIKeyLRKUNATVKBGWQT-ZETCQYMHSA-N
XLogP5.90
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.66
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-(2-bromo-4-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 7706077
2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 7699859
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2,4-dichlorobenzoate
CID 7716323
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 3-amino-4-chlorobenzoate
CID 18198799
[(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 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 55506139
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2,4,5-trimethoxybenzoate
CID 7699944
2-methoxy-N'-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethoxy]benzenecarboximidamide
CID 126827104
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7697811
(3-chlorophenyl)methyl-methyl-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 9041858
(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] 2,2-diphenylacetate
CID 7699767

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole (CID 7701319) is 2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole is C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole?
The InChIKey is LRKUNATVKBGWQT-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H9Cl3N2O2S/c1-7(20-11-6-9(16)8(15)5-10(11)17)13-18-19-14(21-13)12-3-2-4-22-12/h2-7H,1H3/t7-/m0/s1.
What are the key properties of 2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole?
2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole has a molecular weight of 375.66 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5-[(1S)-1-(2,4,5-trichlorophenoxy)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7701319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).