[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate

C19H19ClN2O4S — CID 18206433

IUPAC[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate
SMILESCCc1sc(-c2nnc(COC(=O)COc3ccc(Cl)c(C)c3)o2)cc1C
InChIInChI=1S/C19H19ClN2O4S/c1-4-15-12(3)8-16(27-15)19-22-21-17(26-19)9-25-18(23)10-24-13-5-6-14(20)11(2)7-13/h5-8H,4,9-10H2,1-3H3
InChIKeyHJAMOEAWZYMZQZ-UHFFFAOYSA-N
MW406.89 g/mol
LogP4.75
Rot. Bonds7

About [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate

[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate (PubChem CID 18206433) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate.

Molecular Properties

Compound Name[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate
PubChem CID18206433
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate
SMILESCCc1sc(-c2nnc(COC(=O)COc3ccc(Cl)c(C)c3)o2)cc1C
InChIInChI=1S/C19H19ClN2O4S/c1-4-15-12(3)8-16(27-15)19-22-21-17(26-19)9-25-18(23)10-24-13-5-6-14(20)11(2)7-13/h5-8H,4,9-10H2,1-3H3
InChIKeyHJAMOEAWZYMZQZ-UHFFFAOYSA-N
XLogP4.75
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,4-dimethylphenoxy)acetate
CID 8922243
2-(5-ethyl-4-methylthiophen-2-yl)-5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazole
CID 17423111
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,4-dimethylphenoxy)acetate
CID 8922257
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3-methylphenoxy)acetate
CID 7853413
(3,4-dimethylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 19167643
[2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404344
(4-chloro-3-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178993
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate
CID 9272371
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 9404250
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 7846114

Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate?
The IUPAC name of [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate (CID 18206433) is [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate.
What is the SMILES notation for [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate?
The canonical SMILES for [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate is CCc1sc(-c2nnc(COC(=O)COc3ccc(Cl)c(C)c3)o2)cc1C.
What is the InChIKey of [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate?
The InChIKey is HJAMOEAWZYMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-4-15-12(3)8-16(27-15)19-22-21-17(26-19)9-25-18(23)10-24-13-5-6-14(20)11(2)7-13/h5-8H,4,9-10H2,1-3H3.
What are the key properties of [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate?
[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate has a molecular weight of 406.89 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate is sourced from PubChem (CID 18206433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).