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

C15H12N2O3S — CID 6458328

IUPAC[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate
SMILESCc1ccc(-c2nnc(COC(=O)c3cccs3)o2)cc1
InChIInChI=1S/C15H12N2O3S/c1-10-4-6-11(7-5-10)14-17-16-13(20-14)9-19-15(18)12-3-2-8-21-12/h2-8H,9H2,1H3
InChIKeyXLUZOIZQCHPMEJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.46
Rot. Bonds4

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

[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate (PubChem CID 6458328) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate
PubChem CID6458328
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate
SMILESCc1ccc(-c2nnc(COC(=O)c3cccs3)o2)cc1
InChIInChI=1S/C15H12N2O3S/c1-10-4-6-11(7-5-10)14-17-16-13(20-14)9-19-15(18)12-3-2-8-21-12/h2-8H,9H2,1H3
InChIKeyXLUZOIZQCHPMEJ-UHFFFAOYSA-N
XLogP3.46
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate?
The IUPAC name of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate (CID 6458328) is [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate.
What is the SMILES notation for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate?
The canonical SMILES for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate is Cc1ccc(-c2nnc(COC(=O)c3cccs3)o2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate?
The InChIKey is XLUZOIZQCHPMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-10-4-6-11(7-5-10)14-17-16-13(20-14)9-19-15(18)12-3-2-8-21-12/h2-8H,9H2,1H3.
What are the key properties of [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate?
[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate has a molecular weight of 300.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate is sourced from PubChem (CID 6458328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).