methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate

C14H10N2O3S — CID 14871953

IUPACmethyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1
InChIInChI=1S/C14H10N2O3S/c1-18-14(17)11-8-7-10(20-11)12-15-13(19-16-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyGPAUMLYBPHANIP-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.25
Rot. Bonds3

About methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate

methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate (PubChem CID 14871953) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate
PubChem CID14871953
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Namemethyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1
InChIInChI=1S/C14H10N2O3S/c1-18-14(17)11-8-7-10(20-11)12-15-13(19-16-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyGPAUMLYBPHANIP-UHFFFAOYSA-N
XLogP3.25
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)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-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate (CID 14871953) is methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate is COC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1.
What is the InChIKey of methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate?
The InChIKey is GPAUMLYBPHANIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-18-14(17)11-8-7-10(20-11)12-15-13(19-16-12)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate?
methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate is sourced from PubChem (CID 14871953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).