(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate

C19H18N4O3S — CID 18130405

About (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate

(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 18130405) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

• Compound Name: (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate
• PubChem CID: 18130405
• Molecular Formula: C19H18N4O3S
• Molecular Weight: 382.45 g/mol
• Exact Mass: 382.11
• IUPAC Name: (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate
• SMILES: CCc1nnc(COC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)o1
• InChI: InChI=1S/C19H18N4O3S/c1-3-16-20-21-17(26-16)11-25-19(24)15-9-14-12(2)22-23(18(14)27-15)10-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3
• InChIKey: DFANZYDNDAULAV-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 83.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.45
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate?

The IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate (CID 18130405) is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate.

What is the SMILES notation for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate?

The canonical SMILES for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate is CCc1nnc(COC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)o1.

What is the InChIKey of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate?

The InChIKey is DFANZYDNDAULAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-3-16-20-21-17(26-16)11-25-19(24)15-9-14-12(2)22-23(18(14)27-15)10-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3.

What are the key properties of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate?

(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 382.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 18130405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).