ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate

C10H10N2O4S — CID 112619254

IUPACethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2sccc2OC)o1
InChIInChI=1S/C10H10N2O4S/c1-3-15-10(13)9-12-11-8(16-9)7-6(14-2)4-5-17-7/h4-5H,3H2,1-2H3
InChIKeyVSJOJTJIAHWXDF-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.98
Rot. Bonds4

About ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate

ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 112619254) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID112619254
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Nameethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2sccc2OC)o1
InChIInChI=1S/C10H10N2O4S/c1-3-15-10(13)9-12-11-8(16-9)7-6(14-2)4-5-17-7/h4-5H,3H2,1-2H3
InChIKeyVSJOJTJIAHWXDF-UHFFFAOYSA-N
XLogP1.98
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate (CID 112619254) is ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2sccc2OC)o1.
What is the InChIKey of ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is VSJOJTJIAHWXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c1-3-15-10(13)9-12-11-8(16-9)7-6(14-2)4-5-17-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 254.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 112619254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).