1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate

C18H18N2O4S — CID 55459291

IUPAC1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate
SMILESCOc1cc(CC(=O)OC(C)c2nnc(-c3cccs3)o2)ccc1C
InChIInChI=1S/C18H18N2O4S/c1-11-6-7-13(9-14(11)22-3)10-16(21)23-12(2)17-19-20-18(24-17)15-5-4-8-25-15/h4-9,12H,10H2,1-3H3
InChIKeyHNNZKDBWXLBKKZ-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.96
Rot. Bonds6

About 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate

1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate (PubChem CID 55459291) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate.

Molecular Properties

Compound Name1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate
PubChem CID55459291
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate
SMILESCOc1cc(CC(=O)OC(C)c2nnc(-c3cccs3)o2)ccc1C
InChIInChI=1S/C18H18N2O4S/c1-11-6-7-13(9-14(11)22-3)10-16(21)23-12(2)17-19-20-18(24-17)15-5-4-8-25-15/h4-9,12H,10H2,1-3H3
InChIKeyHNNZKDBWXLBKKZ-UHFFFAOYSA-N
XLogP3.96
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 7715970
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2,4,5-trimethoxybenzoate
CID 7699944
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 7629196
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-naphthalen-1-ylacetate
CID 7696095
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7705576
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 9201074
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 55425533
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate
CID 55563409
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7697587
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 7700396
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-amino-3-methylbenzoate
CID 55391840
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-benzamidoacetate
CID 7696157

Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate?
The IUPAC name of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate (CID 55459291) is 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate.
What is the SMILES notation for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate?
The canonical SMILES for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate is COc1cc(CC(=O)OC(C)c2nnc(-c3cccs3)o2)ccc1C.
What is the InChIKey of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate?
The InChIKey is HNNZKDBWXLBKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11-6-7-13(9-14(11)22-3)10-16(21)23-12(2)17-19-20-18(24-17)15-5-4-8-25-15/h4-9,12H,10H2,1-3H3.
What are the key properties of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate?
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate has a molecular weight of 358.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate is sourced from PubChem (CID 55459291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).