methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate

C15H12N2O4S — CID 75425917

IUPACmethyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(-c3nnco3)cc2)s1
InChIInChI=1S/C15H12N2O4S/c1-19-15(18)13-7-6-12(22-13)8-20-11-4-2-10(3-5-11)14-17-16-9-21-14/h2-7,9H,8H2,1H3
InChIKeyMIAGOQQMWQTKLK-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.16
Rot. Bonds5

About methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate

methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate (PubChem CID 75425917) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate
PubChem CID75425917
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Namemethyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(-c3nnco3)cc2)s1
InChIInChI=1S/C15H12N2O4S/c1-19-15(18)13-7-6-12(22-13)8-20-11-4-2-10(3-5-11)14-17-16-9-21-14/h2-7,9H,8H2,1H3
InChIKeyMIAGOQQMWQTKLK-UHFFFAOYSA-N
XLogP3.16
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate (CID 75425917) is methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate is COC(=O)c1ccc(COc2ccc(-c3nnco3)cc2)s1.
What is the InChIKey of methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate?
The InChIKey is MIAGOQQMWQTKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-19-15(18)13-7-6-12(22-13)8-20-11-4-2-10(3-5-11)14-17-16-9-21-14/h2-7,9H,8H2,1H3.
What are the key properties of methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate?
methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate has a molecular weight of 316.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate is sourced from PubChem (CID 75425917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).